UCSF

ZINC43475559

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.45 -0.9 -44.91 4 4 1 66 212.269 6
Hi High (pH 8-9.5) 0.45 -2.33 -8.25 3 4 0 62 211.261 6

Activity (Go SEA)

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