UCSF

ZINC22212744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.73 6.09 -102.59 4 3 2 35 285.382 5
Mid Mid (pH 6-8) 1.73 3.71 -42.69 3 3 1 34 284.374 5

Activity (Go SEA)

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