UCSF

ZINC53425355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Popular Name: N'-[(3-chlorophenyl)methyl]-N'-methyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethane-1,2-diamine N'-[(3-chlorophenyl)methyl]-N'-m…

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) 2.88 7.23 -38.49 2 3 1 26 297.85 7 ↓
Hi High (pH 8-9.5) 2.88 4.91 -3.28 1 3 0 24 296.842 7 ↓
Mid Mid (pH 6-8) 2.88 6.09 -37.06 2 3 1 29 297.85 7 ↓
Lo Low (pH 4.5-6) 2.88 8.43 -118.15 3 3 2 30 298.858 7 ↓

Activity (Go SEA)

Rings

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

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