UCSF

ZINC52514816

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-N1-cyclopropyl-N2-ethyl-3-methyl-N2-(4-pyridylmethyl)butane-1,2-diamine (2S)-N1-cyclopropyl-N2-ethyl-3-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) 2.09 6.48 -41.21 2 3 1 33 262.421 8 ↓
Hi High (pH 8-9.5) 2.09 6.8 -35.89 2 3 1 29 262.421 8 ↓

Activity (Go SEA)

Rings

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

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