UCSF

ZINC65516900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 20 Yes

Popular Name: 4-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 4-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-o…

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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) 2.37 10.08 -43.17 1 4 1 33 273.404 1 ↓
Hi High (pH 8-9.5) 2.37 7.67 -5.52 0 4 0 32 272.396 1 ↓
Lo Low (pH 4.5-6) 2.37 10.28 -102.28 2 4 2 35 274.412 1 ↓

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

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