UCSF

ZINC67541924

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 18 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) 1.62 5.51 -12.38 1 4 0 51 266.366 6
Mid Mid (pH 6-8) 1.62 5.95 -29.86 2 4 1 52 267.374 6

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

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