UCSF

ZINC53376148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 14 Yes

Popular Name: N-cyclopropyl-N'-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N-cyclopropyl-N'-(3-furylmethyl)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.84 4.57 -32.98 2 3 1 30 195.286 6 ↓
Hi High (pH 8-9.5) 0.84 2.11 -3.11 1 3 0 28 194.278 6 ↓
Mid Mid (pH 6-8) 0.84 3.48 -39.72 2 3 1 33 195.286 6 ↓
Mid Mid (pH 6-8) 0.84 5.92 -110.75 3 3 2 34 196.294 6 ↓

Activity (Go SEA)

Rings

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

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