UCSF

ZINC43799362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 19 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) -1.31 1.6 -60.39 2 7 1 76 272.325 4
Hi High (pH 8-9.5) -1.31 0.24 -15.82 1 7 0 71 271.317 4
Lo Low (pH 4.5-6) -1.31 3.73 -118.45 3 7 2 77 273.333 4

Activity (Go SEA)

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