UCSF

ZINC36360387

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 Yes

Popular Name: (4R)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7- (4R)-4-[(2S)-5-ethoxy-2-methyl-2…

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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) 2.88 2.66 -58.96 1 9 -1 118 420.449 4 ↓
Ref Reference (pH 7) 2.69 5.37 -55.85 1 9 -1 114 420.449 4 ↓
Lo Low (pH 4.5-6) 2.42 4.54 -15.22 2 9 0 115 421.457 4 ↓
Lo Low (pH 4.5-6) 2.24 7.19 -16 2 9 0 111 421.457 4 ↓

Activity (Go SEA)

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