UCSF

ZINC05820768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 25 Yes

Popular Name: 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-; 9-O-Methano-6beta-PGI1; 9-O-methano-6 beta-PGI1; 9-O-methano-PGI1; 9-O-methanoprostaglandin I; C21H34O4; LS-178442; TEI 7165; TEI-7165; isocarbacyclin 2-Pentalenepentanoic acid, 1,3a,…

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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) 4.13 9.02 -45.58 2 4 -1 81 349.491 11 ↓
Lo Low (pH 4.5-6) 4.13 7.04 -8.28 3 4 0 78 350.499 11 ↓

Activity (Go SEA)

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