UCSF

ZINC52545260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: (2R)-N1-cyclopropyl-N2-[(1S)-1-cyclopropylethyl]-N2-(2-methoxyethyl)-3-methyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(1S)-1-c…

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) 2.79 7.43 -29.33 2 3 1 29 269.453 10 ↓
Hi High (pH 8-9.5) 2.79 4.74 -0.91 1 3 0 24 268.445 10 ↓
Mid Mid (pH 6-8) 2.79 8.59 -105.13 3 3 2 30 270.461 10 ↓

Activity (Go SEA)

Rings

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

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