UCSF

ZINC37192198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Popular Name: 2-[(6-amino-3-pyridyl)sulfanylmethyl]indolizine-1-carbonitrile 2-[(6-amino-3-pyridyl)sulfanylme…

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) 2.42 8.41 -13.73 2 4 0 67 280.356 3 ↓
Mid Mid (pH 6-8) 2.42 8.89 -36.61 3 4 1 68 281.364 3 ↓

Activity (Go SEA)

Rings

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

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