UCSF

ZINC49237190

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 1.32 2.78 -42.95 3 5 1 68 270.378 4
Hi High (pH 8-9.5) 1.51 1.13 -36.71 2 5 0 74 269.37 4
Hi High (pH 8-9.5) 1.32 1.39 -7.11 2 5 0 63 269.37 4

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

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