UCSF

ZINC00819590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 20 Yes

Popular Name: 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-2-(4-pyridinylmethyl)- 1H-Isoindole-4-carboxylic acid, …

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CAS Number: 842974-44-1

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) 0.60 8.08 -72.52 0 5 -1 73 267.264 3 ↓
Lo Low (pH 4.5-6) 0.60 8.54 -85.38 1 5 0 75 268.272 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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