UCSF

ZINC19834277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 11 Yes

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) -0.31 1.3 -97.59 5 4 2 65 161.249 6
Mid Mid (pH 6-8) -3.22 1.25 -27.72 5 4 1 65 160.241 6
Mid Mid (pH 6-8) -0.31 -1.21 -33.78 4 4 1 64 160.241 6

Activity (Go SEA)

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