In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | No |
Popular Name: (3S)-3-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-N'-hydroxy-butanamidine (3S)-3-[(2R,5R)-5-ethyl-2-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) | 1.03 | -0.44 | -5.68 | 3 | 5 | 0 | 71 | 229.324 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 1.38 | -34.82 | 4 | 5 | 1 | 72 | 230.332 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 2.05 | -31.82 | 4 | 5 | 1 | 72 | 230.332 | 4 | ↓ |