UCSF

ZINC62969321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: 2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-thieno[2,3-d]pyrimidin-4-amine 2-[[(3S)-3-(dimethylamino)pyrrol…

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) 1.71 5.66 -32.14 2 5 1 45 306.459 5 ↓
Hi High (pH 8-9.5) 1.71 3.16 -7.96 1 5 0 44 305.451 5 ↓
Mid Mid (pH 6-8) 1.71 5.56 -39.56 2 5 1 45 306.459 5 ↓
Mid Mid (pH 6-8) 1.71 8.05 -103.35 3 5 2 47 307.467 5 ↓

Activity (Go SEA)

Rings

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

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