UCSF

ZINC14252234

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 16 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) 1.37 2.8 -44.39 2 4 1 51 261.392 3
Hi High (pH 8-9.5) 1.37 0.41 -8.87 1 4 0 49 260.384 3

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

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