UCSF

ZINC37840881

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.51 1.68 -16.9 1 6 0 83 293.348 4
Hi High (pH 8-9.5) 0.97 -0.37 -47.39 0 6 -1 86 292.34 4
Lo Low (pH 4.5-6) 0.51 2.14 -47.59 2 6 1 84 294.356 4

Activity (Go SEA)

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