UCSF

ZINC62972200

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: [(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]meth [(2S,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) 2.38 6.61 -87.95 3 4 2 41 267.417 2 ↓
Hi High (pH 8-9.5) 2.38 3.08 -9.43 1 4 0 36 265.401 2 ↓
Mid Mid (pH 6-8) 2.38 5.48 -42.45 2 4 1 37 266.409 2 ↓

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

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