UCSF

ZINC37096882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.87 7.71 -130.68 4 2 2 32 317.246 6
Mid Mid (pH 6-8) 2.87 5.52 -50.37 3 2 1 31 316.238 6
Mid Mid (pH 6-8) 2.87 7.7 -34.76 3 2 1 30 316.238 6

Activity (Go SEA)

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