In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: 4-[[[(2S,3S)-2-amino-3-methyl-pentanoyl]-methyl-amino]methyl]-N-methyl-benzamide 4-[[[(2S,3S)-2-amino-3-methyl-pe…
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) | 0.74 | 4.03 | -50.91 | 4 | 5 | 1 | 77 | 292.403 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.74 | 3.7 | -17.15 | 3 | 5 | 0 | 75 | 291.395 | 6 | ↓ |