In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (1R,5S)-3-(aminomethyl)-N-cyclopropyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-3-(aminomethyl)-N-cyclop…
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) | 0.76 | 3.88 | -24.19 | 3 | 3 | 1 | 34 | 238.399 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 5.58 | -28.96 | 3 | 3 | 1 | 34 | 238.399 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 5.96 | -86.23 | 4 | 3 | 2 | 35 | 239.407 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 5.72 | -97.64 | 4 | 3 | 2 | 35 | 239.407 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.76 | 5.98 | -195.09 | 5 | 3 | 3 | 37 | 240.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.