UCSF

ZINC43894232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.39 7.09 -34.54 2 3 1 33 270.4 6
Hi High (pH 8-9.5) 2.39 6.08 -4.56 1 3 0 28 269.392 6
Mid Mid (pH 6-8) 2.39 9.02 -118.23 3 3 2 34 271.408 6
Mid Mid (pH 6-8) 2.39 7.82 -89.2 3 3 2 34 271.408 6

Activity (Go SEA)

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