UCSF

ZINC04170807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 No

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) 4.12 -1.28 -10.23 1 6 0 85 413.514 7
Mid Mid (pH 6-8) 4.30 -0.88 -11.01 1 6 0 85 413.514 7
Mid Mid (pH 6-8) 4.30 -0.03 -12.42 1 6 0 85 413.514 7
Mid Mid (pH 6-8) 4.12 -0.99 -13.56 1 6 0 85 413.514 7

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

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