UCSF

ZINC37052897

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) 0.60 0.46 -8.9 2 5 0 67 269.37 2
Mid Mid (pH 6-8) 0.60 2.83 -44.79 3 5 1 68 270.378 2

Activity (Go SEA)

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