UCSF

ZINC32136737

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 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) 0.92 2.56 -120.95 5 2 2 44 146.278 5
Mid Mid (pH 6-8) 0.92 1.3 -38.76 4 2 1 40 145.27 5

Activity (Go SEA)

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