UCSF

ZINC69842250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 0.92 3.93 -35.41 2 6 1 59 321.445 8
Mid Mid (pH 6-8) 0.92 1.76 -10.81 1 6 0 58 320.437 8
Lo Low (pH 4.5-6) 0.92 4.34 -76.65 3 6 2 60 322.453 8

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

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