UCSF

ZINC62996922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 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) 1.09 1.45 -37.48 0 6 -1 78 260.273 4
Mid Mid (pH 6-8) 0.63 4.13 -6.04 1 6 0 75 261.281 4
Lo Low (pH 4.5-6) 0.63 4.22 -65.36 2 6 0 76 262.289 4

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

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