UCSF

ZINC19527251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.29 8.56 -114.28 3 2 2 21 220.36 5
Mid Mid (pH 6-8) 2.29 7.64 -29.04 2 2 1 16 219.352 5

Vendor Notes

Note Type Comments Provided By
BP 134°/1 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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