In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | No |
Popular Name: (2S)-3-[(2-bromo-4-fluoro-phenyl)methyl-methyl-amino]-N'-hydroxy-2-methyl-propanamidine (2S)-3-[(2-bromo-4-fluoro-phenyl…
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) | 2.40 | 5.26 | -44.04 | 4 | 4 | 1 | 63 | 319.198 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 2.67 | -5.12 | 3 | 4 | 0 | 62 | 318.19 | 5 | ↓ |