UCSF

ZINC49580925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 36 Yes

Popular Name: 2-[[(1R)-1-(2-naphthyl)ethyl]amino]-N-[2-[[2-[[(1S)-1-(2-naphthyl)ethyl]amino]acetyl]amino]ethyl]ace 2-[[(1R)-1-(2-naphthyl)ethyl]ami…

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) 5.38 9.02 -17.31 4 6 0 82 482.628 11 ↓
Hi High (pH 8-9.5) 5.38 10.12 -54.79 5 6 1 87 483.636 11 ↓
Mid Mid (pH 6-8) 5.38 10.12 -54.8 5 6 1 87 483.636 11 ↓

Activity (Go SEA)

Rings

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

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