UCSF

ZINC55618396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 23 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) 1.82 6.01 -56.82 0 5 -1 69 351.473 5
Mid Mid (pH 6-8) 1.82 5.98 -16.33 1 5 0 66 352.481 5

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

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