UCSF

ZINC66123514

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 44 No

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

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) 7.16 23.26 -207.9 6 7 3 80 643.772 13 ↓
Hi High (pH 8-9.5) 7.16 21.08 -90.75 5 7 2 79 642.764 13 ↓

Activity (Go SEA)

Rings

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

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