UCSF

ZINC53493697

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 14 Yes

Popular Name: (2S)-N2-cyclopropyl-N1-(2-furylmethyl)propane-1,2-diamine (2S)-N2-cyclopropyl-N1-(2-furylm…

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) 1.23 5.04 -116.37 4 3 2 46 196.294 6 ↓
Hi High (pH 8-9.5) 1.23 3.88 -40.27 3 3 1 42 195.286 6 ↓
Mid Mid (pH 6-8) 1.23 3.64 -33.55 3 3 1 42 195.286 6 ↓

Activity (Go SEA)

Rings

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

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