UCSF

ZINC36156772

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[[(2R)-2-hydroxy-3-isobutoxy-propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzoth 2-[[[(2R)-2-hydroxy-3-isobutoxy-…

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) 2.55 7.5 -54.26 3 7 1 89 438.614 12 ↓
Hi High (pH 8-9.5) 2.55 5.3 -14.49 2 7 0 88 437.606 12 ↓
Hi High (pH 8-9.5) 3.00 4.93 -45.07 2 7 0 92 437.606 12 ↓

Activity (Go SEA)

Rings

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