UCSF

ZINC38539708

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 1.67 3.1 -44.76 3 3 1 40 255.769 3
Mid Mid (pH 6-8) 1.67 5.36 -112.89 4 3 2 41 256.777 3

Activity (Go SEA)

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