UCSF

ZINC67743111

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 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) 0.44 2.61 -13.13 1 7 0 72 341.415 5
Mid Mid (pH 6-8) 0.44 4.77 -57.4 2 7 1 73 342.423 5
Lo Low (pH 4.5-6) 0.44 5.18 -94.57 3 7 2 75 343.431 5

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

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