UCSF

ZINC57970371

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 20 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) -0.01 3.15 -56.63 3 6 1 83 279.316 5
Mid Mid (pH 6-8) -0.01 2.82 -11.83 2 6 0 82 278.308 5

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

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