UCSF

ZINC45664322

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.45 7.42 -99.17 3 4 2 39 254.422 7
Hi High (pH 8-9.5) 1.45 6.86 -38.23 2 4 1 34 253.414 7

Activity (Go SEA)

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