UCSF

ZINC20235936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 Yes

Popular Name: 5-[5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine 5-[5-[3-(1H-indol-3-yl)propyl]-1…

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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) 3.36 9.07 -55.68 3 6 1 84 374.468 5 ↓
Mid Mid (pH 6-8) 3.36 9.46 -109.91 4 6 2 85 375.476 5 ↓
Mid Mid (pH 6-8) 3.36 7.67 -13.98 2 6 0 80 373.46 5 ↓
Mid Mid (pH 6-8) 3.36 8.06 -40.5 3 6 1 81 374.468 5 ↓

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Rings

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

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