UCSF

ZINC19454809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 29 Yes

Popular Name: 6-[(1-isopropylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[3,4-e]pyrimidin-4-one 6-[(1-isopropylindol-3-yl)methyl…

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) 3.41 12.07 -43.8 2 6 1 58 392.527 4 ↓
Hi High (pH 8-9.5) 3.41 9.68 -12.93 1 6 0 57 391.519 4 ↓
Hi High (pH 8-9.5) 3.86 10.95 -51.53 1 6 0 61 391.519 4 ↓

Activity (Go SEA)

Rings

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

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