UCSF

ZINC39381510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 25 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) 5.07 10.65 -39.12 2 3 1 33 337.487 8
Mid Mid (pH 6-8) 5.07 11.71 -35.65 2 3 1 30 337.487 8
Mid Mid (pH 6-8) 5.07 12.8 -115.2 3 3 2 34 338.495 8

Activity (Go SEA)

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