UCSF

ZINC32255007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 21 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) 0.54 3.7 -49.9 2 5 1 60 288.323 0
Mid Mid (pH 6-8) 0.54 1.53 -8.47 1 5 0 59 287.315 0

Activity (Go SEA)

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