UCSF

ZINC19934348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 1.66 5.81 -44.24 1 4 1 41 246.334 3
Mid Mid (pH 6-8) 1.66 3.34 -6.28 0 4 0 40 245.326 3

Activity (Go SEA)

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