UCSF

ZINC00057380

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 17 Yes

Popular Name: N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID N-[1H-INDOL-3-YL-ACETYL]GLYCINE …

Find On: PubMed — Wikipedia — Google

CAS Number: 13113-08-1

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) -0.29 3.46 -48.5 2 5 -1 85 231.231 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.64e-01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP1047391A1; WO1999030679A1 IBM Patent Data

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