UCSF

ZINC22931774

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 Yes

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-yl]-…

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) 2.33 7.47 -44.38 1 6 1 48 400.543 10 ↓
Hi High (pH 8-9.5) 2.33 5.08 -8.31 0 6 0 47 399.535 10 ↓
Mid Mid (pH 6-8) 2.33 7.41 -38.3 1 6 1 48 400.543 10 ↓
Lo Low (pH 4.5-6) 2.33 7.87 -104.79 2 6 2 50 401.551 10 ↓

Activity (Go SEA)

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

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