UCSF

ZINC00050717

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 6-methyl-2-(4-pyridyl)-1H-indole 6-methyl-2-(4-pyridyl)-1H-indole

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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) 2.97 0.06 -6.38 1 2 0 29 208.264 1 ↓
Lo Low (pH 4.5-6) 2.97 0.17 -37.67 2 2 1 30 209.272 1 ↓

Activity (Go SEA)

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