UCSF

ZINC43971727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.45 8.32 -33.98 2 3 1 29 271.469 8
Mid Mid (pH 6-8) 3.45 7.87 -34.72 2 3 1 26 271.469 8

Activity (Go SEA)

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