UCSF

ZINC39507321

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 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 5.2 -120.5 5 3 2 53 238.375 9
Mid Mid (pH 6-8) 1.67 4.83 -40.84 4 3 1 52 237.367 9
Mid Mid (pH 6-8) 1.67 3.87 -43.39 4 3 1 49 237.367 9

Activity (Go SEA)

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