UCSF

ZINC44811339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 21 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) 1.25 3.69 -10.31 1 5 0 65 287.363 6
Mid Mid (pH 6-8) 1.25 5.95 -46.9 2 5 1 67 288.371 6

Activity (Go SEA)

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