UCSF

ZINC12359341

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 21 No

CAS Number: 2818-58-8

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) 0.57 -7.08 -9.13 4 6 0 99 298.335 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 152-156? Alfa-Aesar
Melting_Point 152-156° Alfa-Aesar

Activity (Go SEA)

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