UCSF

ZINC28825585

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 Yes

Popular Name: (16R,S)-Methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I(sub 2); (E)-(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-delta(sup 2(1H),delta)-pentalenevaleric acid; (E)-5-(3aS,4R,5R,6aS)-5-Hydroxy-4((E)-(3S,4RS) (16R,S)-Methyl-18,18,19,19-tetra…

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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) 3.68 9.24 -48.98 2 4 -1 81 359.486 8 ↓
Lo Low (pH 4.5-6) 3.68 7.28 -10.27 3 4 0 78 360.494 8 ↓

Activity (Go SEA)

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

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