UCSF

ZINC69699452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 2.26 6.14 -37.48 1 4 1 26 285.452 4
Mid Mid (pH 6-8) 2.26 4.64 -3.29 0 4 0 25 284.444 4
Mid Mid (pH 6-8) 2.26 6.46 -37.85 1 4 1 26 285.452 4
Lo Low (pH 4.5-6) 2.26 8.16 -105.84 2 4 2 27 286.46 4

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

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