UCSF

ZINC13541011

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 No

CAS Numbers: 554-91-6 , 5996-00-9

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) -4.30 -14.48 -15.75 8 11 0 197 342.297 8

Vendor Notes

Note Type Comments Provided By
MP 155-160°C Indofine

Activity (Go SEA)

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