UCSF

ZINC69943039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.89 5.4 -92.66 5 3 2 57 207.321 4
Hi High (pH 8-9.5) 1.89 3.99 -3.61 3 3 0 51 205.305 4
Hi High (pH 8-9.5) 1.89 4.46 -28.55 4 3 1 52 206.313 4
Hi High (pH 8-9.5) 1.89 4.94 -39.71 4 3 1 56 206.313 4

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

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