UCSF

ZINC05081273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 28 Yes

Popular Name: 5-imino-4-[(2-methyl-1H-indol-3-yl)methylene]-8-(3-pyridyl)-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1, 5-imino-4-[(2-methyl-1H-indol-3-…

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) 2.80 5.77 -20.9 2 7 0 99 386.44 2 ↓
Lo Low (pH 4.5-6) 2.80 6.64 -44.88 3 7 1 100 387.448 2 ↓
Lo Low (pH 4.5-6) 2.80 6.16 -37.43 3 7 1 100 387.448 2 ↓

Activity (Go SEA)

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