UCSF

ZINC62542136

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 12 No

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) -0.33 1.86 -56.35 2 4 1 51 171.22 3
Hi High (pH 8-9.5) -0.33 -0.06 -12.92 1 4 0 49 170.212 3

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

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