UCSF

ZINC17779640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 17 Yes

CAS Number: 54-42-2

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) -0.80 -3.98 -17.7 3 7 0 105 354.1 2

Vendor Notes

Note Type Comments Provided By
Therapy antiviral SMDC Pharmakon

Activity (Go SEA)

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