UCSF

ZINC58307268

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 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) 3.31 6.33 -59.18 3 5 1 56 341.357 6
Hi High (pH 8-9.5) 3.31 5.25 -9.1 2 5 0 51 340.349 6
Mid Mid (pH 6-8) 3.31 6.49 -105.81 4 5 2 57 342.365 6

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

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