UCSF

ZINC62810101

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 15 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) 0.51 2.34 -40.41 2 5 1 65 209.225 4
Hi High (pH 8-9.5) 0.51 0.63 -9.5 1 5 0 60 208.217 4

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

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