In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: 1-[(2S,3R)-2-amino-3-methyl-pentanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide 1-[(2S,3R)-2-amino-3-methyl-pent…
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) | -0.33 | 0.03 | -49.8 | 5 | 6 | 1 | 97 | 300.423 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.33 | -0.28 | -13.36 | 4 | 6 | 0 | 96 | 299.415 | 7 | ↓ |