UCSF

ZINC62964735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (3S)-1-[(1R,5S)-3-(aminomethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethyl-pyrrolidin-3-am (3S)-1-[(1R,5S)-3-(aminomethyl)-…

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) 0.16 3.88 -177.86 5 4 3 40 269.457 3 ↓
Hi High (pH 8-9.5) 0.16 1.35 -34.46 3 4 1 37 267.441 3 ↓
Mid Mid (pH 6-8) 0.16 1.49 -101.4 4 4 2 39 268.449 3 ↓

Activity (Go SEA)

Rings

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

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