UCSF

ZINC33904296

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 37 No

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) 2.11 7.87 -37.22 4 13 1 168 508.563 7
Hi High (pH 8-9.5) 2.11 5.8 -14.88 3 13 0 167 507.555 7

Activity (Go SEA)

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