UCSF

ZINC18020695

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 16 No

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) -4.59 -3.48 -13.74 2 9 0 156 254.087 4
Ref Reference (pH 7) -1.93 -6.94 -241.05 3 9 -3 169 253.079 4
Mid Mid (pH 6-8) -1.93 -8.08 -118.9 4 9 -2 166 254.087 4
Mid Mid (pH 6-8) -1.93 -7.95 -130.76 4 9 -2 166 254.087 4
Lo Low (pH 4.5-6) -4.59 -4.63 -56.71 3 9 0 153 255.095 4
Lo Low (pH 4.5-6) -4.59 -5.08 -43.18 3 9 0 153 255.095 4
Lo Low (pH 4.5-6) -2.07 -5.21 -121.72 3 9 -2 159 254.087 4
Lo Low (pH 4.5-6) -2.07 -5.07 -125.89 3 9 -2 159 254.087 4
Lo Low (pH 4.5-6) -1.93 -9.1 -43.07 5 9 -1 164 255.095 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.