UCSF

ZINC19409408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 0.38 3.32 -90.34 4 4 2 50 215.341 6
Hi High (pH 8-9.5) 0.38 1 -39.91 3 4 1 49 214.333 6
Hi High (pH 8-9.5) 0.38 2.09 -42.97 3 4 1 46 214.333 6
Hi High (pH 8-9.5) 0.38 -0.23 -11.78 2 4 0 44 213.325 6

Activity (Go SEA)

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