UCSF

ZINC06728418

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 No

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) 4.23 0.39 -12.2 1 5 0 66 399.874 6
Mid Mid (pH 6-8) 3.65 0.25 -18.74 0 5 0 63 399.874 6

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

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