UCSF

ZINC32536623

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 27 No

Popular Name: (3S,4R)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-1,1-dioxo-thiolan-3-ami (3S,4R)-N-[(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) 0.22 -1.87 -28.13 1 8 0 124 437.561 5 ↓
Lo Low (pH 4.5-6) 0.22 -0.7 -85.68 2 8 1 128 438.569 5 ↓

Activity (Go SEA)

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