UCSF

ZINC20081557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 5.46 7.26 -128.66 4 2 2 32 294.386 7
Mid Mid (pH 6-8) 5.46 5.09 -46.94 3 2 1 31 293.378 7

Activity (Go SEA)

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