UCSF

ZINC04792890

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 32 Yes

Popular Name: 2-methyl-3-(1-methylindol-3-yl)-1-oxo-N-(2-pyridylmethyl)-3,4-dihydroisoquinoline-4-carboxamide 2-methyl-3-(1-methylindol-3-yl)-…

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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) 1.82 10.81 -15.23 1 6 0 67 424.504 4 ↓
Lo Low (pH 4.5-6) 1.82 11.22 -46.28 2 6 1 68 425.512 4 ↓

Activity (Go SEA)

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