UCSF

ZINC39998284

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 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) 1.66 7.68 -36.84 1 4 1 26 271.388 4
Mid Mid (pH 6-8) 1.66 7.66 -40.29 1 4 1 26 271.388 4
Mid Mid (pH 6-8) 1.66 5.4 -6.58 0 4 0 24 270.38 4

Activity (Go SEA)

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