UCSF

ZINC04330333

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 27 Yes

Popular Name: 2-chloro-9-methyl-7-phenyl-N-(3-pyridylmethyl)-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene-3-ca 2-chloro-9-methyl-7-phenyl-N-(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) 2.23 8.46 -12.8 1 6 0 73 377.835 4 ↓
Lo Low (pH 4.5-6) 2.23 8.74 -47.29 2 6 1 74 378.843 4 ↓

Activity (Go SEA)

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