UCSF

ZINC49544668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 No

Popular Name: (4R)-4-(3-hydroxy-4-methoxy-phenyl)-1-methyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4R)-4-(3-hydroxy-4-methoxy-phen…

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) 1.08 1.2 -10.12 2 6 0 80 305.359 2 ↓

Activity (Go SEA)

Rings

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

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