UCSF

ZINC69212440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.84 3.92 -16.99 4 7 0 111 361.785 3
Hi High (pH 8-9.5) 2.84 4.92 -59.8 3 7 -1 114 360.777 3

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

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