In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 16 | Yes |
Popular Name: (2S)-1-[(3-fluorophenyl)methyl-methyl-amino]-3-methylamino-propan-2-ol (2S)-1-[(3-fluorophenyl)methyl-m…
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) | 1.02 | 1.64 | -40.98 | 3 | 3 | 1 | 40 | 227.303 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 2.93 | -42.71 | 3 | 3 | 1 | 37 | 227.303 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 2.17 | -32.66 | 2 | 3 | 0 | 43 | 226.295 | 6 | ↓ |