In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: (2R,3S)-2-amino-N-[(1R)-1-(4-chlorophenyl)-2-methyl-propyl]-3-methyl-pentanamide (2R,3S)-2-amino-N-[(1R)-1-(4-chl…
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) | 3.29 | 6.12 | -45.58 | 4 | 3 | 1 | 57 | 297.85 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 5.99 | -6.57 | 3 | 3 | 0 | 55 | 296.842 | 6 | ↓ |