UCSF

ZINC52262393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 0.91 3.2 -123.61 0 3 -2 63 156.181 3
Mid Mid (pH 6-8) 0.91 3.17 -50.22 1 3 -1 60 157.189 3

Activity (Go SEA)

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