UCSF

ZINC43982070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.26 9.33 -99.54 3 3 2 24 293.499 9
Hi High (pH 8-9.5) 3.26 7.72 -35.39 2 3 1 20 292.491 9
Hi High (pH 8-9.5) 3.26 6.48 -35.16 2 3 1 20 292.491 9
Hi High (pH 8-9.5) 3.26 6.85 -34.6 2 3 1 23 292.491 9
Mid Mid (pH 6-8) 3.26 10.19 -116.91 3 3 2 21 293.499 9
Lo Low (pH 4.5-6) 3.26 11.02 -229.97 4 3 3 25 294.507 9

Activity (Go SEA)

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