UCSF

ZINC38591958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 No

Popular Name: (2R,6S,7aR)-2-[(E)-2H-indol-3-ylmethyleneamino]-6-methyl-2,4,5,6,7,7a-hexahydrobenzothiophene-3-carb (2R,6S,7aR)-2-[(E)-2H-indol-3-yl…

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) 2.62 5.43 -34.67 3 4 1 69 340.472 3 ↓
Mid Mid (pH 6-8) 2.62 6.54 -107.33 4 4 2 71 341.48 3 ↓

Activity (Go SEA)

Rings

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

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