UCSF

ZINC34526956

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 4.66 8.29 -10.12 2 5 0 71 353.447 6
Mid Mid (pH 6-8) 4.66 8.22 -45.54 1 5 -1 73 352.439 6

Activity (Go SEA)

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