UCSF

ZINC43396032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.63 5.53 -104.76 4 3 2 45 249.28 5
Hi High (pH 8-9.5) 1.63 4.7 -6.91 2 3 0 42 247.264 5
Mid Mid (pH 6-8) 1.63 5.08 -54.52 3 3 1 44 248.272 5
Mid Mid (pH 6-8) 1.63 5.44 -25.43 3 3 1 43 248.272 5

Activity (Go SEA)

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