UCSF

ZINC02583221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 28 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) 0.78 10.62 -116.34 1 7 -2 119 381.384 8
Lo Low (pH 4.5-6) 0.78 8.64 -54.21 2 7 -1 116 382.392 8

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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