UCSF

ZINC38570762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 34 Yes

Popular Name: (5R,6S)-5-[(1S,9aS)-2-ethyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-[2-(4-methoxyphe (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) 2.80 2.98 -51.7 2 8 -1 104 461.542 6 ↓
Mid Mid (pH 6-8) 3.72 5.12 -14.61 3 8 0 98 462.55 6 ↓
Lo Low (pH 4.5-6) 2.80 4.8 -55.09 3 8 0 105 462.55 6 ↓
Lo Low (pH 4.5-6) 3.72 7.11 -49.66 4 8 1 99 463.558 6 ↓

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

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