UCSF

ZINC39119710

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 0.71 2.18 -27.6 5 3 1 66 160.2 0
Mid Mid (pH 6-8) 0.71 1.72 -7.02 4 3 0 65 159.192 0

Activity (Go SEA)

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