UCSF

ZINC57731807

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 29 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) 5.03 9.73 -10.75 1 4 0 34 406.913 3
Mid Mid (pH 6-8) 5.03 11.31 -44.65 2 4 1 35 407.921 3

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

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