UCSF

ZINC49548119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 No

Popular Name: (4S)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1 (4S)-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) 2.64 3.86 -9.21 2 6 0 80 359.451 3 ↓
Ref Reference (pH 7) 2.46 6.3 -9.06 2 6 0 76 359.451 3 ↓
Mid Mid (pH 6-8) 2.46 6.27 -10.28 2 6 0 76 359.451 3 ↓
Mid Mid (pH 6-8) 2.64 3.81 -11.07 2 6 0 80 359.451 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.