UCSF

ZINC00249956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 19 Yes

CAS Number: 97100-98-6

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) 2.36 7.72 -44.98 0 4 -1 60 266.361 2
Lo Low (pH 4.5-6) 2.36 5.85 -7.91 1 4 0 58 267.369 2

Vendor Notes

Note Type Comments Provided By
MP 120-121° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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