UCSF

ZINC67490630

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 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) 2.75 6.78 -40.02 3 8 1 102 387.46 6
Mid Mid (pH 6-8) 2.75 6.3 -13.74 2 8 0 100 386.452 6
Mid Mid (pH 6-8) 2.75 7.94 -41.26 3 8 1 102 387.46 6
Lo Low (pH 4.5-6) 2.75 8.36 -101.55 4 8 2 103 388.468 6

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

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