In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 18 | Yes |
Popular Name: (1R,5S)-3-(aminomethyl)-N-(cyclobutylmethyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-3-(aminomethyl)-N-(cyclo…
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) | 1.06 | 6.98 | -101.28 | 4 | 3 | 2 | 35 | 253.434 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.06 | 6.84 | -29.73 | 3 | 3 | 1 | 34 | 252.426 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.06 | 7.01 | -208.9 | 5 | 3 | 3 | 37 | 254.442 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.