UCSF

ZINC03830760

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 25 Yes

Popular Name: (Z)-(3aR,4R,5R,6aS)-Hexahydro-5-hydroxy-4-((E)-(3S)-3-hydroxy-1-octenyl)-2H-cyclopenta(b)furan-delta(sup 2,delta)-valeric acid; 6,9-alpha-Epoxy-11-alpha,15(S)-dihydroxyprosta-5(Z),13(E)-dien-1-oic acid; BRN 1690090; C20H32O5; EPOPROSTENOL SODIUM; Epoprost (Z)-(3aR,4R,5R,6aS)-Hexahydro-5-…

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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) 3.83 -3.27 -50.99 2 5 -1 89 351.463 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50591-2-O Bos Taurus (cluster #2 Of 2), Other Other 43 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50591 Z50591 Bos Taurus 43 0.41 Functional ≤ 10μM

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