UCSF

ZINC35367884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 0.78 6.31 -43.26 3 6 1 73 279.364 6
Hi High (pH 8-9.5) 0.78 4.08 -9.37 2 6 0 72 278.356 6
Mid Mid (pH 6-8) 0.78 6.64 -94.77 4 6 2 74 280.372 6
Mid Mid (pH 6-8) 0.78 4.37 -30.45 3 6 1 73 279.364 6

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

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