UCSF

ZINC43972239

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) 1.71 6.15 -106.03 3 3 2 30 228.38 5
Hi High (pH 8-9.5) 1.71 3.89 -0.85 1 3 0 24 226.364 5
Mid Mid (pH 6-8) 1.71 5.2 -29.29 2 3 1 26 227.372 5

Activity (Go SEA)

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