UCSF

ZINC35224313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 1.96 8.49 -102.17 3 5 2 60 296.411 8
Hi High (pH 8-9.5) 1.96 6.26 -37.67 2 5 1 59 295.403 8
Mid Mid (pH 6-8) 1.96 7.1 -37.37 2 5 1 56 295.403 8

Activity (Go SEA)

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