UCSF

ZINC19737600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 21 Yes

CAS Number: 1040684-13-6

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) 5.46 10.04 -39.94 2 2 1 26 345.677 6
Mid Mid (pH 6-8) 5.46 8.59 -3.88 1 2 0 21 344.669 6

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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