UCSF

ZINC53374160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 22 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) 0.93 2.89 -18.34 2 6 0 79 307.325 5
Hi High (pH 8-9.5) 1.12 0.23 -51.07 1 6 -1 85 306.317 5

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

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