In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 16 | Yes |
Popular Name: (2S)-N2,N2,4-trimethyl-N1-[(1S)-1-(1-methylcyclopropyl)ethyl]pentane-1,2-diamine (2S)-N2,N2,4-trimethyl-N1-[(1S)-…
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) | 2.92 | 6.49 | -35.09 | 2 | 2 | 1 | 20 | 227.416 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 8.64 | -30.81 | 2 | 2 | 1 | 16 | 227.416 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 8.43 | -113.43 | 3 | 2 | 2 | 21 | 228.424 | 7 | ↓ |