In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2010 | 21 | Yes |
Popular Name: (2S)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methyl-pentanamide (2S)-N-[3-(3,4-dihydro-1H-isoqui…
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 | 9.47 | -45.96 | 2 | 3 | 1 | 34 | 289.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 7.19 | -8.34 | 1 | 3 | 0 | 32 | 288.435 | 7 | ↓ |