UCSF

ZINC59452103

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 24 No

CAS Number: 4445-07-2

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) 9.35 18.42 -1.3 0 0 0 0 330.6 17

Vendor Notes

Note Type Comments Provided By
BP [°C] 249 (p=15 torr) Acros Organics
Mp [°C] 32 - 36 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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