UCSF

ZINC67431746

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 3.23 8.32 -9.47 1 5 0 48 346.434 3
Mid Mid (pH 6-8) 3.23 10.55 -41.08 2 5 1 49 347.442 3
Mid Mid (pH 6-8) 3.23 8.79 -33.06 2 5 1 50 347.442 3
Lo Low (pH 4.5-6) 3.23 11.01 -98.89 3 5 2 51 348.45 3

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

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