UCSF

ZINC00795265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 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) 1.91 3.82 -41.97 3 3 1 46 222.308 7
Hi High (pH 8-9.5) 1.91 2.39 -5.47 2 3 0 41 221.3 7

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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