UCSF

ZINC54824563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 15 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) 1.26 4.42 -7.53 1 3 0 49 201.273 3
Lo Low (pH 4.5-6) 1.26 4.88 -37.68 2 3 1 50 202.281 3
Lo Low (pH 4.5-6) 1.26 5.64 -55.84 2 3 1 53 202.281 3

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

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