UCSF

ZINC67935476

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

Popular Name: 11-(1H-indol-2-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-(1H-indol-2-ylmethyl)-3,7-dim…

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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) 2.86 8.37 -40.58 2 4 1 27 327.496 2 ↓
Mid Mid (pH 6-8) 2.86 9.78 -107.28 3 4 2 28 328.504 2 ↓
Lo Low (pH 4.5-6) 2.86 9.49 -101.49 3 4 2 28 328.504 2 ↓

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

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