UCSF

ZINC66425190

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) -1.03 1.11 -41.63 3 7 1 83 269.325 5
Hi High (pH 8-9.5) -1.03 -1.16 -15.15 2 7 0 82 268.317 5

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

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