UCSF

ZINC12448226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 2.71 9.39 -55.31 2 6 1 69 389.479 6
Lo Low (pH 4.5-6) 2.71 9.67 -90.56 3 6 2 70 390.487 6
Lo Low (pH 4.5-6) 2.71 9.67 -115.5 3 6 2 70 390.487 6
Lo Low (pH 4.5-6) 2.71 9.95 -160.2 4 6 3 71 391.495 6

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

No pre-computed analogs available. Try a structural similarity search.