UCSF

ZINC41653082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 0.63 1.73 -37.64 2 3 1 29 185.291 3
Mid Mid (pH 6-8) 0.63 3.99 -105.51 3 3 2 30 186.299 3

Activity (Go SEA)

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