In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 18 | Yes |
Popular Name: N-[(1R,2S)-2-tert-butylcyclohexyl]-N',N',2-trimethyl-propane-1,2-diamine N-[(1R,2S)-2-tert-butylcyclohexy…
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) | 4.41 | 7.45 | -28.36 | 2 | 2 | 1 | 20 | 255.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 9.29 | -32.78 | 2 | 2 | 1 | 16 | 255.47 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 9.5 | -106.65 | 3 | 2 | 2 | 21 | 256.478 | 5 | ↓ |