UCSF

ZINC08214778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 43 No

CAS Number: 153-18-4

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Annotations

Vendors

    None

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) -1.46 -15.48 -22.49 11 16 0 269 612.537 6
Mid Mid (pH 6-8) -1.46 -15.35 -60.9 10 16 -1 272 611.529 6

Vendor Notes

Note Type Comments Provided By
Therapy vascular protectant SMDC MicroSource

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