UCSF

ZINC43912330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.61 9.34 -110.69 3 3 2 30 280.456 9
Mid Mid (pH 6-8) 3.61 8.1 -29.91 2 3 1 26 279.448 9

Activity (Go SEA)

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