UCSF

ZINC69929874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

Popular Name: N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine N-methyl-N-[[(2S)-1-pyridazin-3-…

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) 2.04 8.81 -13.16 0 6 0 58 326.429 4 ↓
Lo Low (pH 4.5-6) 2.04 9.27 -38.91 1 6 1 59 327.437 4 ↓

Activity (Go SEA)

Rings

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

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