UCSF

ZINC41706998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 Yes

Popular Name: 2-methyl-1-[2-(4-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[2-(4-pyridyl)ethyl]-…

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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) 1.93 9.01 -14.44 0 3 0 35 254.333 3 ↓
Lo Low (pH 4.5-6) 1.93 9.47 -51.02 1 3 1 36 255.341 3 ↓

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

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