UCSF

ZINC19989408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 34 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) 6.08 11.73 -19.49 2 6 0 99 506.678 5
Mid Mid (pH 6-8) 6.54 10.38 -48.24 1 6 -1 102 505.67 5

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

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