UCSF

ZINC65496560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 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) 1.73 5.51 -37.02 4 5 1 74 246.338 4
Hi High (pH 8-9.5) 1.73 4.05 -9.88 3 5 0 69 245.33 4
Mid Mid (pH 6-8) 1.73 4.51 -37.12 4 5 1 71 246.338 4
Mid Mid (pH 6-8) 1.73 4.92 -86.71 5 5 2 72 247.346 4

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

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