UCSF

ZINC53491005

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 Yes

Popular Name: (2R)-N2-cyclopentyl-N2-ethyl-N1-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (2R)-N2-cyclopentyl-N2-ethyl-N1-…

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) 2.26 7.27 -26.79 2 3 1 26 255.426 7 ↓
Hi High (pH 8-9.5) 2.26 3.9 -2.11 1 3 0 24 254.418 7 ↓
Mid Mid (pH 6-8) 2.26 5.63 -34.08 2 3 1 29 255.426 7 ↓
Mid Mid (pH 6-8) 2.26 7.46 -105.31 3 3 2 30 256.434 7 ↓

Activity (Go SEA)

Rings

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

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