UCSF

ZINC61700106

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 17 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) 1.82 5.57 -54.89 3 2 1 41 285.845 3
Hi High (pH 8-9.5) 1.82 5.24 -7.56 2 2 0 39 284.837 3

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

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