In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: (2R)-2-amino-N-cyclopropyl-3-methyl-N-(3-pyridylmethyl)butanamide (2R)-2-amino-N-cyclopropyl-3-met…
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) | 0.18 | 4.62 | -47.93 | 3 | 4 | 1 | 61 | 248.35 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.18 | 4.3 | -7.89 | 2 | 4 | 0 | 59 | 247.342 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.18 | 5.07 | -100.12 | 4 | 4 | 2 | 62 | 249.358 | 5 | ↓ |