UCSF

ZINC69066394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.09 7.54 -46.62 1 8 0 97 344.371 7
Mid Mid (pH 6-8) 2.09 5.22 -46.44 0 8 -1 96 343.363 7
Mid Mid (pH 6-8) 1.63 6.14 -14.67 1 8 0 93 344.371 7

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

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