UCSF

ZINC36161471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.42 10.59 -53.75 3 6 1 80 450.669 11 ↓
Hi High (pH 8-9.5) 4.88 8.17 -47.62 2 6 0 83 449.661 11 ↓
Hi High (pH 8-9.5) 4.42 8.21 -12.64 2 6 0 78 449.661 11 ↓

Activity (Go SEA)

Rings

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