UCSF

ZINC42289339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 0.84 1.45 -7.5 1 5 0 51 279.336 3
Mid Mid (pH 6-8) 0.84 3.65 -39.88 2 5 1 52 280.344 3

Activity (Go SEA)

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