UCSF

ZINC53343895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 No

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) -0.14 -0.72 -62.6 2 5 1 63 263.383 4
Mid Mid (pH 6-8) -0.14 -1.89 -12.13 1 5 0 59 262.375 4
Lo Low (pH 4.5-6) -0.14 1.54 -147.78 3 5 2 64 264.391 4

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

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