UCSF

ZINC69947976

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 29 Yes

Popular Name: 6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-methyl-pyrido[2,3-d]pyrimidine-2,4-dione 6-[(2S)-2-(4-methoxyphenyl)pyrro…

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) 1.30 3.74 -11.39 1 9 0 114 416.459 4 ↓
Mid Mid (pH 6-8) 1.75 1.23 -49.28 0 9 -1 117 415.451 4 ↓

Activity (Go SEA)

Rings

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

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