UCSF

ZINC43248566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 3.77 6.95 -36.45 3 2 1 31 295.516 5
Hi High (pH 8-9.5) 3.77 8.17 -31.22 3 2 1 30 295.516 5
Hi High (pH 8-9.5) 3.77 6.6 -1.57 2 2 0 29 294.508 5
Lo Low (pH 4.5-6) 3.77 8.48 -109.39 4 2 2 32 296.524 5

Activity (Go SEA)

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