UCSF

ZINC39051834

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.01 3.55 -7.71 1 3 0 49 147.181 2
Mid Mid (pH 6-8) 1.01 4.02 -35.8 2 3 1 50 148.189 2

Activity (Go SEA)

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