UCSF

ZINC34654295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 2.36 3.84 -53.23 3 4 1 65 271.406 7
Hi High (pH 8-9.5) 2.36 3.44 -9.19 2 4 0 63 270.398 7

Activity (Go SEA)

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