UCSF

ZINC13406168

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 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) 3.92 8.97 -39.33 0 7 -1 103 405.217 3
Mid Mid (pH 6-8) 3.77 8.3 -107.62 0 7 -2 105 404.209 4
Lo Low (pH 4.5-6) 3.40 9.36 -16.91 1 7 0 97 406.225 3

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

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