UCSF

ZINC44660101

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.92 6.46 -107.89 3 3 2 30 230.396 6
Mid Mid (pH 6-8) 1.92 4.94 -32.85 2 3 1 29 229.388 6
Mid Mid (pH 6-8) 1.92 5.48 -31.2 2 3 1 26 229.388 6

Activity (Go SEA)

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