UCSF

ZINC68959053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 20 Yes

Popular Name: (1S)-1-(1-isoquinolyl)-N-methyl-2-phenyl-ethanamine (1S)-1-(1-isoquinolyl)-N-methyl-…

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) 3.84 8.87 -40.29 2 2 1 29 263.364 4 ↓
Hi High (pH 8-9.5) 3.84 7.87 -6.29 1 2 0 25 262.356 4 ↓
Lo Low (pH 4.5-6) 3.84 8.71 -26.47 2 2 1 26 263.364 4 ↓

Activity (Go SEA)

Rings

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

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