UCSF

ZINC69742698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 1.83 8.51 -34.25 1 4 1 32 326.342 5
Hi High (pH 8-9.5) 1.83 8.04 -11.64 0 4 0 30 325.334 5
Lo Low (pH 4.5-6) 1.83 10.27 -44.22 1 4 1 31 326.342 5

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

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