UCSF

ZINC62036281

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 17 Yes

Popular Name: N-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,…

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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) 3.17 4.43 -32.39 2 3 1 29 241.399 6 ↓
Mid Mid (pH 6-8) 3.17 6.87 -115.54 3 3 2 30 242.407 6 ↓

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Rings

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

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