UCSF

ZINC08782853

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 20 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) 0.75 -4.31 -14 3 8 0 115 290.308 3
Hi High (pH 8-9.5) 0.75 -3.75 -39.53 2 8 -1 117 289.3 3

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

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