UCSF

ZINC64538790

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S,5R)-N-(3-fluorophenyl)-5-[[2-[2-(5-methyl-2H-indol-3-yl)ethylamino]-2-oxo-ethyl]sulfanylmethyl]- (2S,5R)-N-(3-fluorophenyl)-5-[[2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.33 5.5 -50.37 3 7 1 97 486.618 9 ↓

Activity (Go SEA)

Rings

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

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