UCSF

ZINC37202119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Popular Name: N'-[(1R)-1,2-bis(2-thienyl)ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[(1R)-1,2-bis(2-thienyl)ethyl…

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) 4.06 9.38 -31.5 2 2 1 16 309.524 9 ↓
Hi High (pH 8-9.5) 4.06 7.22 -2.58 1 2 0 15 308.516 9 ↓
Lo Low (pH 4.5-6) 4.06 10.51 -102.39 3 2 2 21 310.532 9 ↓

Activity (Go SEA)

Rings

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