UCSF

ZINC52571329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 17 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) 1.17 5.52 -91.09 3 4 2 40 248.411 13
Mid Mid (pH 6-8) 1.17 3.36 -36.31 2 4 1 38 247.403 13

Activity (Go SEA)

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