UCSF

ZINC04167161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 No

Popular Name: 4-amino-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]non 4-amino-2-(3-chloro-4-hydroxy-5-…

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) 3.13 2.05 -12.02 4 8 0 126 424.844 4 ↓
Hi High (pH 8-9.5) 3.49 2.09 -57.76 2 8 -1 125 423.836 4 ↓

Activity (Go SEA)

Rings

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

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