UCSF

ZINC04125090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 24 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) 1.32 -6.41 -18.08 6 8 0 136 346.416 5
Lo Low (pH 4.5-6) 1.32 -6.18 -47.18 7 8 1 137 347.424 5
Lo Low (pH 4.5-6) 1.32 -6.02 -117.27 8 8 2 138 348.432 5

Activity (Go SEA)

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