UCSF

ZINC62825193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 19 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) 4.56 5.65 -33 2 4 -1 66 445.92 1
Mid Mid (pH 6-8) 4.56 6.9 -4.35 3 4 0 68 446.928 1

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

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