UCSF

ZINC69096395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 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) 1.08 5.3 -37.48 3 5 1 60 270.397 6
Hi High (pH 8-9.5) 1.08 3.23 -4.46 2 5 0 59 269.389 6
Mid Mid (pH 6-8) 1.08 5.67 -94.36 4 5 2 62 271.405 6

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

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