UCSF

ZINC12647758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 16 Yes

Popular Name: 5-Cyano-2-methylindole-3-acetic acid 5-Cyano-2-methylindole-3-acetic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13218-36-5 , [13218-36-5]

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) 1.47 5.87 -52.38 1 4 -1 80 213.216 2 ↓
Hi High (pH 8-9.5) 1.77 10.12 -23 4 12 0 177 495.54 13 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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