UCSF

ZINC41799274

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 28 Yes

Popular Name: N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamid N-[(2S)-2-(2-methoxyphenyl)-2-py…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.13 9.13 -41.05 2 6 1 61 399.54 6 ↓
Hi High (pH 8-9.5) 3.13 7.36 -10.49 1 6 0 59 398.532 6 ↓

Activity (Go SEA)

Rings

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