UCSF

ZINC65530111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

Popular Name: 6-nitro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione 6-nitro-2-(5-methyl-1,3,4-thiadi…

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Other Names:

MFCD00628404

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) 0.12 5.52 -46.64 2 4 1 50 246.334 2 ↓
Hi High (pH 8-9.5) 0.12 4.18 -10.89 1 4 0 45 245.326 2 ↓
Lo Low (pH 4.5-6) 0.12 5.98 -86.94 3 4 2 51 247.342 2 ↓

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Rings

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

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