UCSF

ZINC65731399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 27 Yes

Popular Name: (5Z,11-alpha,13E,15R)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid; 16,16-Dimethyl-pge2; 16,16-Dimethyl-prostaglandin E2; 16,16-Dimethylprostaglandin E2; 5-Heptenoic acid, 7-(2-(4,4-dimethyl-3-hydroxy-1-octenyl)-3-hydroxy-5-oxocyclopent (5Z,11-alpha,13E,15R)-11,15-Dihy…

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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) 3.52 8.69 -54.96 2 5 -1 98 379.517 12 ↓
Lo Low (pH 4.5-6) 3.52 6.72 -12.4 3 5 0 95 380.525 12 ↓

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Rings

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

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