UCSF

ZINC36156001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

Popular Name: 2-[[[(2S)-2-hydroxy-3-isobutoxy-propyl]-(2-morpholinoethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzo 2-[[[(2S)-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) 2.17 6.34 -58.05 3 8 1 92 479.667 11 ↓
Hi High (pH 8-9.5) 2.17 4.1 -15.96 2 8 0 91 478.659 11 ↓
Hi High (pH 8-9.5) 2.62 3.71 -50.21 2 8 0 95 478.659 11 ↓
Lo Low (pH 4.5-6) 2.17 6.38 -53.97 3 8 1 92 479.667 11 ↓

Activity (Go SEA)

Rings

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