UCSF

ZINC45367189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 12 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) 0.33 0.53 -47.15 2 4 -1 81 175.204 6
Lo Low (pH 4.5-6) 0.33 -1.76 -8.47 3 4 0 78 176.212 6

Activity (Go SEA)

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