In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 20 | Yes |
Popular Name: (2R)-2-amino-N-(2-cyanoethyl)-4-methyl-N-(3-pyridylmethyl)pentanamide (2R)-2-amino-N-(2-cyanoethyl)-4-…
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) | -0.20 | 4.9 | -55.88 | 3 | 5 | 1 | 85 | 275.376 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.20 | 4.66 | -15.47 | 2 | 5 | 0 | 83 | 274.368 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.20 | 5.34 | -106.29 | 4 | 5 | 2 | 86 | 276.384 | 7 | ↓ |