UCSF

ZINC32873924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 30 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) 3.16 7.02 -15.58 1 7 0 83 428.558 5
Mid Mid (pH 6-8) 3.16 7.22 -44.94 2 7 1 84 429.566 5

Activity (Go SEA)

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