UCSF

ZINC66148647

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 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) 2.83 7.05 -21.11 0 9 0 104 400.366 6
Mid Mid (pH 6-8) 2.83 8.16 -43.23 1 9 1 105 401.374 6

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

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