In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(aminomethyl)-N-isobutyl-N-isopropyl-tetralin-1-amine (1S)-1-(aminomethyl)-N-isobutyl-…
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) | 3.38 | 8.09 | -115.91 | 4 | 2 | 2 | 32 | 276.468 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 8.39 | -25.38 | 3 | 2 | 1 | 30 | 275.46 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 5.99 | -46.07 | 3 | 2 | 1 | 31 | 275.46 | 5 | ↓ |