UCSF

ZINC59110546

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 31 Yes

Popular Name: (3S,3aS,4S,4aR,8aS,9aS)-4-[(E)-2-[5-(2,5-dichlorophenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8 (3S,3aS,4S,4aR,8aS,9aS)-4-[(E)-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) 6.64 15.69 -8.87 0 3 0 39 456.413 3 ↓
Lo Low (pH 4.5-6) 6.64 16.02 -42.8 1 3 1 40 457.421 3 ↓

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Rings

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

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