UCSF

ZINC49551196

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-(3-methylsulfanylphenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-ca (5S)-1-isopentyl-N-(3-methylsulf…

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) 1.77 4.12 -21.6 3 8 0 117 416.503 6 ↓
Ref Reference (pH 7) 2.22 5.98 -39.64 2 8 -1 119 415.495 6 ↓

Activity (Go SEA)

Rings

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

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