In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[[(1S,2S)-2-(ethylamino)cyclopentyl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[(1S,2S)-2-(ethylamino)c…
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) | 1.92 | 5.84 | -83.68 | 3 | 3 | 2 | 24 | 241.423 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 3.45 | -35.98 | 2 | 3 | 1 | 23 | 240.415 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 8.29 | -195.79 | 4 | 3 | 3 | 25 | 242.431 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.