UCSF

ZINC58315948

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 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) 2.49 8.94 -60.56 3 6 1 64 351.478 5
Hi High (pH 8-9.5) 2.49 7.56 -12.68 2 6 0 60 350.47 5
Mid Mid (pH 6-8) 2.49 9.1 -106.68 4 6 2 66 352.486 5

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

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