UCSF

ZINC33677291

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 31 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) 3.02 10.96 -21.77 1 7 0 83 442.585 11
Hi High (pH 8-9.5) 2.84 9.88 -51.88 0 7 -1 89 441.577 11

Activity (Go SEA)

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