In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: (2R)-1-[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]-3-(4-methylcyclohexoxy)propan-2-ol (2R)-1-[[(1S)-2-(diethylamino)-1…
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) | 2.23 | 4.84 | -35.55 | 3 | 4 | 1 | 49 | 301.495 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 5.63 | -33.9 | 3 | 4 | 1 | 46 | 301.495 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 6.86 | -111.21 | 4 | 4 | 2 | 51 | 302.503 | 10 | ↓ |