UCSF

ZINC45497134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 17 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) 3.29 7.37 -11.38 1 3 0 50 233.311 4
Hi High (pH 8-9.5) 3.95 6.11 -47.49 0 3 -1 53 232.303 4

Activity (Go SEA)

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