UCSF

ZINC32873858

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 20 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) 1.50 5.54 -8.75 0 4 0 36 273.38 3
Mid Mid (pH 6-8) 1.50 7.81 -49.29 1 4 1 38 274.388 3

Activity (Go SEA)

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