UCSF

ZINC67965532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 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) 3.50 10.46 -37.86 2 5 1 51 370.908 5
Hi High (pH 8-9.5) 3.50 11.92 -48.06 2 5 1 51 370.908 5
Mid Mid (pH 6-8) 3.50 9.72 -8.67 1 5 0 50 369.9 5
Lo Low (pH 4.5-6) 3.50 12.35 -111.9 3 5 2 52 371.916 5

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

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