UCSF

ZINC01532561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 10 No

CAS Numbers: 19982-83-3 , 609-06-3 , 7322-30-7

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) -2.22 -8.45 -7.82 4 5 0 90 150.13 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.22e+03 g/l DrugBank-experimental
Melting_Point 147-151? Alfa-Aesar
Melting_Point 147-151° Alfa-Aesar
Mp [°C] 150 - 152 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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