UCSF

ZINC60220858

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 10 No

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) 1.51 3.88 -30.29 3 2 1 30 141.238 0
Hi High (pH 8-9.5) 1.51 2.92 -1.39 2 2 0 29 140.23 0

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

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