UCSF

ZINC53669762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 29 Yes

Popular Name: N-[3-[(3S,4aR,7aR)-1-methyl-2,4-dioxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1-dioxo-4 N-[3-[(3S,4aR,7aR)-1-methyl-2,4-…

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) 0.62 0.12 -105.49 1 10 -2 150 438.487 3 ↓
Mid Mid (pH 6-8) 0.04 0.53 -28.28 1 10 0 144 439.495 3 ↓
Lo Low (pH 4.5-6) 0.04 0.23 -22.97 2 10 0 142 440.503 3 ↓
Lo Low (pH 4.5-6) 0.04 0.36 -27.26 2 10 0 142 440.503 3 ↓

Activity (Go SEA)

Rings

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

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