UCSF

ZINC65530214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Popular Name: (1R,6S)-9-[(E)-2-methyl-3-phenyl-allyl]-4,9-diazabicyclo[4.2.1]nonane (1R,6S)-9-[(E)-2-methyl-3-phenyl…

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) 3.19 7.56 -36.22 2 2 1 20 257.401 3 ↓
Hi High (pH 8-9.5) 3.19 6.22 -1.81 1 2 0 15 256.393 3 ↓
Mid Mid (pH 6-8) 3.19 7.9 -32.28 2 2 1 16 257.401 3 ↓
Lo Low (pH 4.5-6) 3.19 9.25 -110.85 3 2 2 21 258.409 3 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.