UCSF

ZINC36777125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 0.96 4.1 -44.71 3 3 1 44 242.346 5
Mid Mid (pH 6-8) 0.96 6.08 -118.87 4 3 2 45 243.354 5
Mid Mid (pH 6-8) 0.96 4.81 -96.46 4 3 2 45 243.354 5

Activity (Go SEA)

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