UCSF

ZINC16589972

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 27 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) 3.50 8.96 -39.74 2 6 1 68 385.513 7
Hi High (pH 8-9.5) 3.50 9.03 -17 1 6 0 67 384.505 7
Hi High (pH 8-9.5) 3.50 11.1 -48.27 2 6 1 68 385.513 7

Activity (Go SEA)

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