UCSF

ZINC05562452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 26 No

Popular Name: N-[(1-allyl-2-hydroxy-indol-3-yl)azocarbonylmethyl]thiophene-2-carboxamide N-[(1-allyl-2-hydroxy-indol-3-yl…

Find On: PubMed — Wikipedia — Google

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) 2.05 5.62 -14.28 2 7 0 93 368.418 6 ↓
Hi High (pH 8-9.5) 2.96 4.1 -53.95 1 7 -1 99 367.41 6 ↓
Hi High (pH 8-9.5) 2.96 3.17 -49.89 1 7 -1 99 367.41 6 ↓

Activity (Go SEA)

Rings

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

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