UCSF

ZINC19472085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.55 5.49 -46.1 3 3 1 48 235.351 5
Mid Mid (pH 6-8) 1.55 5.14 -10.49 2 3 0 46 234.343 5

Activity (Go SEA)

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