UCSF

ZINC66166202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 45 No

Popular Name: (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-benzyl-3-(3-cyclopentylpropyl)-2-imino-imidazolidin-1-yl]pe (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2…

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) 6.86 23.41 -198.93 6 7 3 80 614.947 15 ↓
Mid Mid (pH 6-8) 6.86 22.72 -86.18 5 7 2 79 613.939 15 ↓

Activity (Go SEA)

Rings

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

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