UCSF

ZINC62978917

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 20 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) 3.30 7.89 -85.74 3 3 2 24 283.504 6
Hi High (pH 8-9.5) 3.30 6.88 -28.41 2 3 1 20 282.496 6
Hi High (pH 8-9.5) 3.30 5.74 -31.74 2 3 1 23 282.496 6

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

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