UCSF

ZINC95863376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 27 Yes

Popular Name: LS-159828; N,N-Diethyl-N'-((8-alpha)-6-propylergolin-8-yl)urea (Z)-2-butenedioate; Urea, N,N-diethyl-N'-((8-alpha)-6-propylergolin-8-yl)-, (Z)-2-butenedioate (1:1) LS-159828; N,N-Diethyl-N'-((8-al…

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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) 4.05 10.52 -46.91 3 5 1 53 369.533 5 ↓
Hi High (pH 8-9.5) 4.05 8.42 -10.69 2 5 0 51 368.525 5 ↓

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

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