UCSF

ZINC36208089

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (7S)-2-[[[(2S)-2-hydroxy-3-methoxy-propyl]-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzo (7S)-2-[[[(2S)-2-hydroxy-3-metho…

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) 1.64 5.25 -52.21 3 6 1 80 352.48 6 ↓
Hi High (pH 8-9.5) 1.64 2.93 -13.48 2 6 0 78 351.472 6 ↓
Hi High (pH 8-9.5) 2.10 2.81 -47.77 2 6 0 83 351.472 6 ↓

Activity (Go SEA)

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