UCSF

ZINC20070791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 0.73 2.92 -33.32 2 3 1 26 185.291 4
Mid Mid (pH 6-8) 0.73 4.12 -104.62 3 3 2 30 186.299 4

Activity (Go SEA)

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