UCSF

ZINC40467346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 17 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) 2.25 6.01 -41.13 3 3 1 48 241.399 6
Mid Mid (pH 6-8) 2.25 5.68 -5.65 2 3 0 46 240.391 6

Activity (Go SEA)

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