UCSF

ZINC51481566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.81 6.5 -38.66 2 5 1 55 279.408 6
Hi High (pH 8-9.5) 1.81 5.31 -8.56 1 5 0 50 278.4 6
Lo Low (pH 4.5-6) 1.81 6.75 -89.55 3 5 2 56 280.416 6
Lo Low (pH 4.5-6) 1.81 6.62 -101.97 3 5 2 56 280.416 6

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

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