UCSF

ZINC38570978

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 29 Yes

Popular Name: (5R,6S)-5-[(1R,9aS)-2-methyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-isohexyl-hexahy (5R,6S)-5-[(1R,9aS)-2-methyl-1,3…

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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) 3.04 2.57 -48.34 2 7 -1 95 397.499 5 ↓
Mid Mid (pH 6-8) 3.41 7.01 -11.59 3 7 0 89 398.507 5 ↓
Lo Low (pH 4.5-6) 3.04 5.64 -54.27 3 7 0 96 398.507 5 ↓
Lo Low (pH 4.5-6) 3.41 8.31 -50.21 4 7 1 90 399.515 5 ↓

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

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