UCSF

ZINC26935744

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 25 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) 4.91 7.87 -27.17 4 4 1 69 328.395 3
Mid Mid (pH 6-8) 4.91 7.61 -20.95 3 4 0 68 327.387 3

Activity (Go SEA)

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