UCSF

ZINC00389705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 1,5,6,7-tetrahydro-4H-indol-4-one 1,5,6,7-tetrahydro-4H-indol-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13754-86-4 , [13754-86-4]

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) 1.12 3.95 -11.46 1 2 0 33 135.166 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 188 - 189 KeyOrganics
MP 188-190° Oakwood Chemical
MP 190 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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