UCSF

ZINC20123040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-cyclohexan-1-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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) 3.05 6.85 -39.27 2 3 1 33 277.432 5 ↓
Hi High (pH 8-9.5) 3.05 8.07 -32.47 2 3 1 30 277.432 5 ↓
Mid Mid (pH 6-8) 3.05 9.28 -113.59 3 3 2 34 278.44 5 ↓

Activity (Go SEA)

Rings

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

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