UCSF

ZINC43405713

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) 0.05 1.02 -38.78 6 5 1 96 233.295 3
Hi High (pH 8-9.5) 0.05 0.68 -9.94 5 5 0 94 232.287 3
Mid Mid (pH 6-8) 0.05 1.33 -88.27 7 5 2 97 234.303 3

Activity (Go SEA)

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