UCSF

ZINC34686708

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 Yes

Popular Name: 2-[[(1R)-2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-pyridylmethyl)acetami 2-[[(1R)-2-acetyl-1-(3-fluorophe…

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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) 2.26 10.09 -22.17 1 6 0 72 433.483 6 ↓
Lo Low (pH 4.5-6) 2.26 10.51 -55.56 2 6 1 73 434.491 6 ↓

Activity (Go SEA)

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