UCSF

ZINC23283233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 3.39 8.13 -30.98 1 2 1 8 239.427 7
Lo Low (pH 4.5-6) 3.39 8.24 -33.19 1 2 1 8 239.427 7

Activity (Go SEA)

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