UCSF

ZINC23387414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 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) 0.79 5.27 -13.67 1 5 0 71 243.266 5
Mid Mid (pH 6-8) 0.79 5.75 -44.68 2 5 1 72 244.274 5

Activity (Go SEA)

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