UCSF

ZINC43428137

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: (4aS,8aS)-4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1, (4aS,8aS)-4-[[(3S)-1,2,3,4-tetra…

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) 2.74 7.37 -36.99 2 3 1 26 287.427 2 ↓
Mid Mid (pH 6-8) 2.74 5.57 -3.21 1 3 0 24 286.419 2 ↓
Lo Low (pH 4.5-6) 2.74 8.66 -128.91 3 3 2 30 288.435 2 ↓

Activity (Go SEA)

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