UCSF

ZINC39346879

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 12 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) 2.28 3.68 -4.7 1 2 0 23 163.22 0
Mid Mid (pH 6-8) 2.28 4.31 -30.09 2 2 1 25 164.228 0

Activity (Go SEA)

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