UCSF

ZINC69075610

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 Yes

Popular Name: (1R)-1-cyclopropyl-N'-methyl-N'-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-N-propyl-ethane-1,2-diamine (1R)-1-cyclopropyl-N'-methyl-N'-…

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) 2.40 7.67 -84.15 3 3 2 24 255.45 8 ↓
Hi High (pH 8-9.5) 2.40 7.11 -32.91 2 3 1 20 254.442 8 ↓
Mid Mid (pH 6-8) 2.40 9.43 -198.61 4 3 3 25 256.458 8 ↓
Mid Mid (pH 6-8) 2.40 5.07 -31.83 2 3 1 23 254.442 8 ↓

Activity (Go SEA)

Rings

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

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