UCSF

ZINC54930845

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) 1.85 1.57 -10.31 2 4 0 66 202.213 1
Mid Mid (pH 6-8) 2.31 -0.54 -51.47 1 4 -1 69 201.205 1

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

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