UCSF

ZINC69815856

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 28 Yes

Popular Name: (2S)-N-isopropyl-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)azepane-1-carboxamide (2S)-N-isopropyl-2-(1-thieno[3,2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.60 10.73 -11.13 1 6 0 61 401.58 3 ↓
Lo Low (pH 4.5-6) 4.60 11.17 -29.87 2 6 1 63 402.588 3 ↓

Activity (Go SEA)

Rings

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

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