UCSF

ZINC62670036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.38 6.9 -41.77 3 4 1 49 269.372 1
Hi High (pH 8-9.5) 2.38 5.59 -5.76 2 4 0 44 268.364 1
Lo Low (pH 4.5-6) 2.38 7.03 -91.04 4 4 2 50 270.38 1

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

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