UCSF

ZINC39490346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 21 Yes

Popular Name: 3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-[(2R)-2H-pyrrol-2-yl]-1,2,4-oxadiazole 3-(3-methyl-5,6,7,8-tetrahydro-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.91 3.74 -94.97 3 6 2 82 283.335 2 ↓
Hi High (pH 8-9.5) 0.91 1.39 -10.8 1 6 0 76 281.319 2 ↓
Mid Mid (pH 6-8) 0.91 4.16 -166.04 4 6 3 84 284.343 2 ↓
Mid Mid (pH 6-8) 0.91 2.38 -43.18 2 6 1 78 282.327 2 ↓
Mid Mid (pH 6-8) 0.91 2.8 -84.54 3 6 2 79 283.335 2 ↓

Activity (Go SEA)

Rings

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

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