UCSF

ZINC13130399

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 2.86 2.91 -6.15 2 3 0 49 228.173 2
Hi High (pH 8-9.5) 2.75 3.97 -50.07 0 3 -1 48 227.165 2
Hi High (pH 8-9.5) 2.86 3.56 -36.47 1 3 -1 52 227.165 2
Mid Mid (pH 6-8) 2.86 3.67 -45.6 1 3 -1 52 227.165 2

Activity (Go SEA)

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