UCSF

ZINC38570787

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 32 No

Popular Name: (5R,6S)-5-[(1S,9aS)-2-ethyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-(3-methoxyphenyl (5R,6S)-5-[(1S,9aS)-2-ethyl-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 3.26 -11.41 3 8 0 98 434.496 4 ↓
Mid Mid (pH 6-8) 2.66 1.6 -51.46 2 8 -1 104 433.488 4 ↓
Mid Mid (pH 6-8) 2.66 3.61 -54.75 3 8 0 105 434.496 4 ↓
Mid Mid (pH 6-8) 3.04 5.62 -42.84 4 8 1 99 435.504 4 ↓

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

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