UCSF

ZINC34232626

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 31 Yes

Popular Name: (1R,2R,3aS,8bS)-1-[(E,3S)-4-cyclohexyl-3-hydroxy-but-1-enyl]-5-[2-(2H-tetrazol-5-yl)ethyl]-2,3,3a,8b (1R,2R,3aS,8bS)-1-[(E,3S)-4-cycl…

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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) 3.11 6.31 -46.06 2 7 -1 102 423.537 7 ↓
Lo Low (pH 4.5-6) 3.11 6.31 -10.82 3 7 0 104 424.545 7 ↓
Lo Low (pH 4.5-6) 3.11 6.44 -13.16 3 7 0 104 424.545 7 ↓

Activity (Go SEA)

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