UCSF

ZINC67725375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 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) -0.04 0.74 -13.64 1 7 0 74 308.382 1
Mid Mid (pH 6-8) -0.04 2.91 -52.75 2 7 1 75 309.39 1

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

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