UCSF

ZINC43771550

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 32 No

CAS Number: 64-75-5

Other Names:

BRD-A88208128-003-01-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.69 -0.82 -53.97 6 10 -1 184 443.432 2
Hi High (pH 8-9.5) -2.01 1.62 -102.31 5 10 -1 185 443.432 1
Hi High (pH 8-9.5) -1.42 -3.38 -70.29 6 10 -1 184 443.432 1
Hi High (pH 8-9.5) -1.42 -3.52 -68.07 6 10 -1 184 443.432 1
Hi High (pH 8-9.5) -0.69 0.13 -133.84 5 10 -2 187 442.424 2
Hi High (pH 8-9.5) -0.69 0.18 -114.94 5 10 -2 187 442.424 2
Hi High (pH 8-9.5) -0.69 1.47 -139.36 5 10 -2 191 442.424 2
Mid Mid (pH 6-8) -0.24 0.41 -70.76 6 10 -1 188 443.432 2
Mid Mid (pH 6-8) -0.69 -0.08 -59.87 6 10 0 188 443.432 2
Mid Mid (pH 6-8) -1.42 -2.05 -55.04 8 10 1 183 445.448 1
Mid Mid (pH 6-8) -1.42 -1.06 -73.74 7 10 0 186 444.44 1
Mid Mid (pH 6-8) -2.01 -0.06 -44.64 7 10 1 180 445.448 1
Mid Mid (pH 6-8) -0.69 -0.68 -43.32 7 10 0 186 444.44 2
Mid Mid (pH 6-8) -0.24 0.2 -116.74 5 10 -2 187 442.424 2
Lo Low (pH 4.5-6) -1.42 -4.44 -20.38 7 10 0 182 444.44 1
Lo Low (pH 4.5-6) -1.42 -2.2 -50.61 8 10 1 183 445.448 1

Vendor Notes

Note Type Comments Provided By
Notes Cell culture tested Tetracycline is a bacteriostatic antibiotic with activity against gram-positive and gram-negative bacteria. Apollo Scientific Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )