| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 17 | Yes |
Popular Name: (2S)-3-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methylamino]-1,1,1-trifluoro-propan-2-ol (2S)-3-[[(3S)-1-cyclopropylpyrro…
| 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) | 0.93 | 4.56 | -72.18 | 3 | 3 | 1 | 44 | 253.288 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 2.09 | -29.56 | 2 | 3 | 0 | 43 | 252.28 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 3.25 | -50.4 | 2 | 3 | 0 | 40 | 252.28 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 4.07 | -106.02 | 4 | 3 | 2 | 41 | 254.296 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
