UCSF

ZINC19990335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 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) 4.25 7.5 -22.38 2 6 0 88 414.537 5
Mid Mid (pH 6-8) 4.71 6.26 -52.23 1 6 -1 91 413.529 5

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

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