UCSF

ZINC52815603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 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) -0.33 4.24 -49.59 3 5 1 70 244.322 6
Mid Mid (pH 6-8) -0.33 4.11 -97.8 4 5 2 71 245.33 6
Mid Mid (pH 6-8) -0.33 4.41 -97.07 4 5 2 71 245.33 6

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

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