UCSF

ZINC40905636

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 16 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) 3.41 4.08 -40.44 3 3 1 46 224.324 7
Hi High (pH 8-9.5) 3.41 4.84 -33.62 2 3 0 49 223.316 7

Activity (Go SEA)

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