UCSF

ZINC12404546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 21 Yes

CAS Number: 1164454-61-8

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) -0.11 -2.01 -60.96 0 6 -1 83 285.279 3
Lo Low (pH 4.5-6) -0.11 -1.9 -74.99 1 6 0 84 286.287 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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