UCSF

ZINC21813295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 5.34 9.6 -3.37 1 1 0 12 273.807 5
Mid Mid (pH 6-8) 5.34 10.84 -46.96 2 1 1 17 274.815 5

Activity (Go SEA)

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