UCSF

ZINC20126712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 1.45 4.87 -119.53 4 3 2 41 222.332 5
Hi High (pH 8-9.5) 1.45 3.01 -65.39 2 3 0 43 220.316 5
Mid Mid (pH 6-8) 1.45 3.34 -37.52 3 3 1 37 221.324 5

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

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