In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 17 | Yes |
Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1R)-2-cyclopropyl-1-methyl-…
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) | 1.94 | 6.95 | -7.75 | 1 | 4 | 0 | 47 | 235.331 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 7.28 | -31.53 | 2 | 4 | 1 | 48 | 236.339 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.