UCSF

ZINC52377640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 0.05 0.61 -39.89 2 4 1 42 228.341 4
Hi High (pH 8-9.5) 0.05 -0.84 -6.13 1 4 0 37 227.333 4
Lo Low (pH 4.5-6) 0.05 2.9 -90.57 3 4 2 43 229.349 4

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

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