UCSF

ZINC49544895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 26 No

Popular Name: (4S)-4-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]-1-methyl-4,8-dihydropyrazolo[3,4-e (4S)-4-[1-[(3S)-1,1-dioxothiolan…

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) 0.08 1.64 -21.09 1 8 0 102 395.51 2 ↓
Ref Reference (pH 7) -0.10 4.01 -21.27 1 8 0 99 395.51 2 ↓
Lo Low (pH 4.5-6) 0.08 1.76 -48.49 2 8 1 104 396.518 2 ↓
Lo Low (pH 4.5-6) -0.10 4.13 -51.53 2 8 1 100 396.518 2 ↓

Activity (Go SEA)

Rings

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

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