UCSF

ZINC34688080

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 Yes

Popular Name: 2-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(1H-indol-3-yl)ethanone 2-[(1S)-6-hydroxy-7-methoxy-1-me…

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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) 2.91 5.99 -18.49 2 5 0 66 350.418 4 ↓
Mid Mid (pH 6-8) 2.91 8.08 -52.43 3 5 1 67 351.426 4 ↓

Activity (Go SEA)

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