UCSF

ZINC36157078

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 Yes

Popular Name: 2-[[[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H- 2-[[[(2S)-3-(2-furylmethoxy)-2-h…

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) 2.28 7.37 -59.58 3 8 1 102 462.592 12 ↓
Hi High (pH 8-9.5) 2.28 5.07 -19.02 2 8 0 101 461.584 12 ↓
Hi High (pH 8-9.5) 2.73 4.7 -52.6 2 8 0 105 461.584 12 ↓

Activity (Go SEA)

Rings

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