UCSF

ZINC62972676

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: [(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-[(3S)-3-(diethylamino)pyrrolidin-1-yl]metha [(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-…

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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) 3.14 7.51 -85.29 3 4 2 41 295.471 4 ↓
Hi High (pH 8-9.5) 3.14 4.21 -6.51 1 4 0 36 293.455 4 ↓
Mid Mid (pH 6-8) 3.14 6.35 -39.49 2 4 1 37 294.463 4 ↓

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

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