UCSF

ZINC13551320

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Other Names:

ACHROMYCIN

Tetracycline

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) -2.01 1.02 -60.68 6 10 0 182 444.44 1
Ref Reference (pH 7) -2.01 1.02 -51.89 6 10 0 182 444.44 1
Hi High (pH 8-9.5) -1.27 0.66 -127.05 4 10 -2 184 442.424 2
Hi High (pH 8-9.5) -2.01 0.41 -144.29 4 10 -2 184 442.424 1
Hi High (pH 8-9.5) -2.01 2.02 -121.7 5 10 -1 185 443.432 1
Hi High (pH 8-9.5) -2.01 0.41 -153.44 4 10 -2 184 442.424 1
Hi High (pH 8-9.5) -1.27 -0.34 -63.17 5 10 -1 181 443.432 2
Hi High (pH 8-9.5) -1.27 2.29 -118.79 5 10 -1 185 443.432 2
Mid Mid (pH 6-8) -2.01 -0.58 -74.83 5 10 -1 181 443.432 1
Mid Mid (pH 6-8) -1.27 1.31 -65.45 6 10 0 182 444.44 2
Mid Mid (pH 6-8) -2.01 0.3 -55.75 7 10 1 180 445.448 1
Mid Mid (pH 6-8) -1.27 1.93 -46.68 5 10 0 185 443.432 2
Mid Mid (pH 6-8) -2.01 -0.58 -81.58 5 10 -1 181 443.432 1

Vendor Notes

Note Type Comments Provided By
Therapy antiamebic, antibacterial, antirickettsial SMDC Iconix

Activity (Go SEA)

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