UCSF

ZINC52545535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 Yes

Popular Name: (2R)-N1-cyclopropyl-N2-(3-furylmethyl)-N2-methyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(3-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) 1.70 4.96 -34.92 2 3 1 33 223.34 7 ↓
Hi High (pH 8-9.5) 1.70 5.12 -2.45 1 3 0 28 222.332 7 ↓
Mid Mid (pH 6-8) 1.70 7.56 -112.09 3 3 2 34 224.348 7 ↓

Activity (Go SEA)

Rings

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

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