UCSF

ZINC00248755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 14 Yes

CAS Numbers: 6240-01-3 , 6240-10-4

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) 1.41 3.3 -77.07 3 3 0 68 195.262 1

Vendor Notes

Note Type Comments Provided By
MP 365-367° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.