In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 18 | Yes |
Popular Name: 3-methyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine 3-methyl-N-[(1S)-1-(1-methylbenz…
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) | 3.37 | 8 | -40.78 | 2 | 3 | 1 | 34 | 246.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 6.72 | -8.03 | 1 | 3 | 0 | 30 | 245.37 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 8.47 | -109.12 | 3 | 3 | 2 | 36 | 247.386 | 5 | ↓ |