In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-4-methyl-N-[6-(1-piperidyl)-3-pyridyl]pentanamide (2S)-2-amino-4-methyl-N-[6-(1-pi…
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) | 1.91 | 5.46 | -47.3 | 4 | 5 | 1 | 73 | 291.419 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 5.14 | -8.55 | 3 | 5 | 0 | 71 | 290.411 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 5.78 | -91.77 | 5 | 5 | 2 | 74 | 292.427 | 5 | ↓ |