UCSF

ZINC00347886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 17 Yes

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Annotations

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) 3.25 7.9 -47.46 2 2 1 22 227.331 0
Hi High (pH 8-9.5) 3.25 6.59 -5.34 1 2 0 17 226.323 0

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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