UCSF

ZINC09422364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 23 No

Popular Name: 3-[2-imino-8,9-dimethyl-3-(2-pyridylmethyl)-3,5,7-triazabicyclo[4.3.0]nona-4,8,10-trien-7-yl]propan- 3-[2-imino-8,9-dimethyl-3-(2-pyr…

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) -2.58 7.79 -30.91 3 6 1 81 312.397 5 ↓
Lo Low (pH 4.5-6) -2.58 8.15 -95.53 4 6 2 82 313.405 5 ↓

Activity (Go SEA)

Rings

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

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