UCSF

ZINC43979027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.25 4.97 -108.6 3 3 2 30 230.396 4
Hi High (pH 8-9.5) 2.25 3.1 -0.86 1 3 0 24 228.38 4
Mid Mid (pH 6-8) 2.25 4.02 -30.99 2 3 1 26 229.388 4

Activity (Go SEA)

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