UCSF

ZINC02791595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 31 No

Popular Name: (4S)-6-amino-4-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-c (4S)-6-amino-4-[4-(difluorometho…

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) 2.99 6.96 -14.02 2 7 0 95 424.407 5 ↓
Lo Low (pH 4.5-6) 2.99 7.39 -55.51 3 7 1 97 425.415 5 ↓

Activity (Go SEA)

Rings

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

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