UCSF

ZINC70104606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 17 Yes

Popular Name: (1R,5S)-9-[(1R)-1-(cyclopropylmethyl)propyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-1-(cyclopropylme…

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) 2.50 6.79 -104.08 4 2 2 32 238.419 4 ↓
Mid Mid (pH 6-8) 2.50 5.19 -45.12 3 2 1 31 237.411 4 ↓
Mid Mid (pH 6-8) 2.50 6.49 -28.13 3 2 1 30 237.411 4 ↓

Activity (Go SEA)

Rings

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

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