UCSF

ZINC53343877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 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) 0.36 1.84 -38.82 2 4 1 38 229.344 5
Hi High (pH 8-9.5) 0.36 0.41 -4.41 1 4 0 34 228.336 5
Lo Low (pH 4.5-6) 0.36 4.1 -114.23 3 4 2 40 230.352 5

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

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