| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-(cyclobutylmethyl)-1-isopropyl-N-methyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-(cyclobut…
| 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) | 1.08 | 4.16 | -30.12 | 3 | 3 | 1 | 34 | 240.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 3.04 | -42.57 | 3 | 3 | 1 | 34 | 240.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 4.43 | -26.94 | 3 | 3 | 1 | 34 | 240.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 6.36 | -98.43 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 4.89 | -121.15 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 4.95 | -104.23 | 4 | 3 | 2 | 35 | 241.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 6.7 | -224.77 | 5 | 3 | 3 | 37 | 242.431 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
