UCSF

ZINC56874874

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 21 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) -4.20 -7.7 -306.61 13 8 4 158 308.423 4
Hi High (pH 8-9.5) -4.20 -7.22 -86.53 11 8 2 155 306.407 4
Hi High (pH 8-9.5) -4.20 -8.84 -126.88 11 8 2 152 306.407 4

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

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