UCSF

ZINC34685555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 40 Yes

Popular Name: 5-[[(1S)-2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-pyridylmethyl)furan-2-car 5-[[(1S)-2-benzyl-1-phenyl-3,4-d…

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) 5.34 13.81 -11.61 1 6 0 68 529.64 9 ↓
Mid Mid (pH 6-8) 5.34 15.6 -43.86 2 6 1 69 530.648 9 ↓
Lo Low (pH 4.5-6) 5.34 16.06 -86.36 3 6 2 70 531.656 9 ↓

Activity (Go SEA)

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