UCSF

ZINC34626297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 No

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) 3.75 4.91 -14.98 2 7 0 102 358.346 9
Hi High (pH 8-9.5) 3.75 5.91 -57.15 1 7 -1 105 357.338 9
Hi High (pH 8-9.5) 3.75 5.9 -60.68 1 7 -1 105 357.338 9
Hi High (pH 8-9.5) 3.75 6.68 -128.7 0 7 -2 108 356.33 9

Activity (Go SEA)

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