UCSF

ZINC69517101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.09 10.61 -47.45 1 4 1 31 286.399 5
Hi High (pH 8-9.5) 1.09 8.37 -7.69 0 4 0 30 285.391 5
Lo Low (pH 4.5-6) 1.09 11.12 -85.72 2 4 2 33 287.407 5

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

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