In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 16 | Yes |
Popular Name: 3-[(2S)-2-amino-2-pyrazin-2-yl-ethyl]pyridin-2-amine 3-[(2S)-2-amino-2-pyrazin-2-yl-e…
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) | -1.70 | 1.26 | -32.14 | 5 | 5 | 1 | 92 | 216.268 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.70 | 0.67 | -6.67 | 4 | 5 | 0 | 91 | 215.26 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.70 | 1.37 | -107.12 | 6 | 5 | 2 | 94 | 217.276 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.70 | 0.89 | -45.62 | 5 | 5 | 1 | 92 | 216.268 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.