UCSF

ZINC38876511

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 18 Yes

Popular Name: tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate tert-Butyl 4-(hydroxymethyl)-1H-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 220499-12-7 , [220499-12-7]

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) 2.55 5.4 -9.21 1 4 0 51 247.294 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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