UCSF

ZINC43252077

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 3.27 5.18 -37.57 3 2 1 31 261.842 6
Hi High (pH 8-9.5) 3.27 6.8 -35.28 3 2 1 30 261.842 6
Hi High (pH 8-9.5) 3.27 4.77 -1.06 2 2 0 29 260.834 6
Lo Low (pH 4.5-6) 3.27 7.13 -117.07 4 2 2 32 262.85 6

Activity (Go SEA)

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