UCSF

ZINC52345178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 0.42 3.11 -28.9 2 4 1 43 224.328 4
Hi High (pH 8-9.5) 0.42 2.66 -7.38 1 4 0 41 223.32 4
Mid Mid (pH 6-8) 0.42 5.31 -102.24 3 4 2 44 225.336 4
Lo Low (pH 4.5-6) 0.42 4.9 -37.26 2 4 1 42 224.328 4

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

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