UCSF

ZINC43802649

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 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) 0.27 0.29 -42.33 2 4 1 38 215.317 2
Hi High (pH 8-9.5) 0.27 -1.08 -3.56 1 4 0 34 214.309 2
Lo Low (pH 4.5-6) 0.27 1.09 -29.26 2 4 1 35 215.317 2
Lo Low (pH 4.5-6) 0.27 2.46 -97.77 3 4 2 40 216.325 2

Activity (Go SEA)

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