UCSF

ZINC04164422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 17 Yes

CAS Numbers: 3094-09-5 , [3094-09-5]

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) -0.67 -3.96 -12.9 3 7 0 105 246.194 1
Hi High (pH 8-9.5) -0.21 -8.12 -50.3 2 7 -1 108 245.186 1

Vendor Notes

Note Type Comments Provided By
Therapy antineoplastic, pyrimidine antimetabolite SMDC Pharmakon

Activity (Go SEA)

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