UCSF

ZINC42038960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 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) -2.09 0.8 -41.36 4 5 1 79 211.289 3
Mid Mid (pH 6-8) -2.09 0.38 -9.06 3 5 0 77 210.281 3

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

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