UCSF

ZINC22931732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 Yes

Popular Name: N-[(2,6-dimethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)methanamine N-[(2,6-dimethoxyphenyl)methyl]-…

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) 2.72 7.74 -32.42 1 5 1 39 370.517 9 ↓
Hi High (pH 8-9.5) 2.72 5.46 -6.9 0 5 0 38 369.509 9 ↓
Mid Mid (pH 6-8) 2.72 7.8 -35.74 1 5 1 39 370.517 9 ↓
Lo Low (pH 4.5-6) 2.72 8.78 -85.71 2 5 2 40 371.525 9 ↓

Activity (Go SEA)

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

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