UCSF

ZINC04168339

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 33 No

Popular Name: 4-amino-9-(p-tolylsulfanylmethyl)-2-(3,4,5-trimethoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,1 4-amino-9-(p-tolylsulfanylmethyl…

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) 3.57 5.55 -13.45 3 8 0 115 464.547 7 ↓
Ref Reference (pH 7) 3.80 5.64 -16.46 2 8 0 111 464.547 7 ↓
Lo Low (pH 4.5-6) 3.57 6.6 -66.24 4 8 1 117 465.555 7 ↓

Activity (Go SEA)

Rings

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