UCSF

ZINC64548890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 No

Popular Name: N-[[(1R,5S,6R,8S)-6,8-bis(3-chlorophenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbox N-[[(1R,5S,6R,8S)-6,8-bis(3-chlo…

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) 5.52 11.04 -15.58 2 5 0 66 479.411 4 ↓
Lo Low (pH 4.5-6) 5.52 11.44 -67.8 3 5 1 71 480.419 4 ↓

Activity (Go SEA)

Rings

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

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