UCSF

ZINC69815422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: N-methyl-N-[(3S)-1-(6-methylpyridazin-3-yl)-3-piperidyl]thieno[3,2-d]pyrimidin-4-amine N-methyl-N-[(3S)-1-(6-methylpyri…

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) 2.28 9.4 -13.63 0 6 0 58 340.456 3 ↓
Lo Low (pH 4.5-6) 2.28 9.86 -36.43 1 6 1 59 341.464 3 ↓

Activity (Go SEA)

Rings

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

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