UCSF

ZINC43968232

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) 2.94 6.52 -31.59 2 4 1 35 297.463 4
Hi High (pH 8-9.5) 2.94 4.4 -2.47 1 4 0 34 296.455 4
Hi High (pH 8-9.5) 2.94 6.07 -36.58 2 4 1 38 297.463 4

Activity (Go SEA)

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