UCSF

ZINC38596529

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

Popular Name: (2R,3S)-2-[(E)-2H-indol-3-ylmethyleneamino]-6-methyl-3,4,5,7-tetrahydro-2H-thieno[2,3-c]pyridine-3-c (2R,3S)-2-[(E)-2H-indol-3-ylmeth…

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) 2.59 5.46 -36.49 1 4 1 53 323.445 2 ↓
Mid Mid (pH 6-8) 2.59 7.88 -85.81 2 4 2 55 324.453 2 ↓
Lo Low (pH 4.5-6) 2.59 8.78 -186.12 3 4 3 56 325.461 2 ↓

Activity (Go SEA)

Rings

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

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