UCSF

ZINC53344081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

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

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) 2.74 7.39 -109.7 3 3 2 30 256.434 6 ↓
Hi High (pH 8-9.5) 2.74 3.72 -1.72 1 3 0 24 254.418 6 ↓
Mid Mid (pH 6-8) 2.74 4.9 -33.8 2 3 1 29 255.426 6 ↓
Mid Mid (pH 6-8) 2.74 6.19 -32.61 2 3 1 26 255.426 6 ↓

Activity (Go SEA)

Rings

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

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