UCSF

ZINC62862429

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 17 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) 1.47 4.92 -37.47 2 3 1 33 237.367 5
Mid Mid (pH 6-8) 1.47 6.79 -103.28 3 3 2 34 238.375 5

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

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