In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 18 | Yes |
Popular Name: (2S)-N',N',3-trimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]butane-1,2-diamine (2S)-N',N',3-trimethyl-N-[(1R,5S…
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) | 2.03 | 8.55 | -78.21 | 3 | 3 | 2 | 21 | 255.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 6.7 | -27.59 | 2 | 3 | 1 | 20 | 254.442 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 6.64 | -107.57 | 3 | 3 | 2 | 24 | 255.45 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 6.85 | -100.55 | 3 | 3 | 2 | 24 | 255.45 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 9.04 | -195 | 4 | 3 | 3 | 25 | 256.458 | 5 | ↓ |