UCSF

ZINC43968215

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) 3.61 8.5 -105.77 3 2 2 21 228.424 6
Hi High (pH 8-9.5) 3.61 6.74 -34.81 2 2 1 20 227.416 6
Mid Mid (pH 6-8) 3.61 7.02 -31.42 2 2 1 16 227.416 6

Activity (Go SEA)

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