UCSF

ZINC49551150

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 Yes

Popular Name: (5S)-1-isopentyl-N-(2-methoxyphenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxami (5S)-1-isopentyl-N-(2-methoxyphe…

Find On: PubMed — Wikipedia — Google

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) 1.37 2.5 -18.52 3 9 0 126 400.435 6 ↓
Ref Reference (pH 7) 1.82 4.34 -39.05 2 9 -1 129 399.427 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.