UCSF

ZINC20127104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.42 7.44 -46.68 2 3 1 37 330.221 5
Mid Mid (pH 6-8) 2.42 6.03 -8.09 1 3 0 32 329.213 5

Activity (Go SEA)

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