UCSF

ZINC52542062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.91 10.11 -106.05 0 7 -2 98 429.505 5
Lo Low (pH 4.5-6) 4.91 10.19 -60.66 1 7 -1 100 430.513 5

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

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