UCSF

ZINC54897148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 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) -1.72 1.94 -56.29 3 4 1 61 260.408 2
Mid Mid (pH 6-8) -1.72 1.6 -16.99 2 4 0 59 259.4 2

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

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