UCSF

ZINC49251622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.45 -1.64 -41.49 1 6 -1 87 236.251 3
Lo Low (pH 4.5-6) 0.00 0.22 -8.4 2 6 0 84 237.259 3

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

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