UCSF

ZINC49511245

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 19 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) 0.97 1.18 -4.56 2 4 0 42 261.369 3
Mid Mid (pH 6-8) 0.97 5.39 -34.31 3 4 1 43 262.377 3
Lo Low (pH 4.5-6) 0.97 5.97 -114.57 4 4 2 44 263.385 3
Lo Low (pH 4.5-6) 0.97 3.82 -36.03 3 4 1 43 262.377 3

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

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