UCSF

ZINC58342001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 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) 1.12 9.62 -60.62 3 7 1 77 338.439 6
Hi High (pH 8-9.5) 1.12 8.25 -14.14 2 7 0 73 337.431 6
Mid Mid (pH 6-8) 1.12 9.73 -102.91 4 7 2 78 339.447 6

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

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