UCSF

ZINC34383966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 11 No

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) -4.68 1.38 -119.41 1 6 -2 109 159.097 3
Lo Low (pH 4.5-6) -4.68 -0.31 -47.41 2 6 -1 107 160.105 3

Activity (Go SEA)

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