UCSF

ZINC42470308

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Popular Name: N,N'-dicyclopropyl-N-(3-thienylmethyl)propane-1,3-diamine N,N'-dicyclopropyl-N-(3-thienylm…

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) 2.12 6.67 -36.18 2 2 1 20 251.419 8 ↓
Mid Mid (pH 6-8) 2.12 9 -103.88 3 2 2 21 252.427 8 ↓

Activity (Go SEA)

Rings

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