UCSF

ZINC65498930

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 Yes

Popular Name: (3aR,4S)-4-[2-(2H-indol-3-yl)ethyl]-4-methyl-3a,5,6,7-tetrahydroimidazo[4,5-c]pyridine (3aR,4S)-4-[2-(2H-indol-3-yl)eth…

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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) 2.72 6.48 -78.95 4 4 2 56 282.391 3 ↓
Hi High (pH 8-9.5) 2.72 6.01 -30.26 3 4 1 55 281.383 3 ↓
Mid Mid (pH 6-8) 2.72 7.31 -87.42 4 4 2 59 282.391 3 ↓
Mid Mid (pH 6-8) 2.72 7.47 -179.76 5 4 3 61 283.399 3 ↓

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

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