UCSF

ZINC39272281

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 6.41 9.72 -9.48 0 4 0 43 463.375 5
Lo Low (pH 4.5-6) 6.41 10.59 -27.57 1 4 1 45 464.383 5
Lo Low (pH 4.5-6) 6.41 10.61 -27.81 1 4 1 45 464.383 5

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

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