In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(4-tert-butylphenyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-methanamine (1S)-1-(4-tert-butylphenyl)-1-(2…
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) | 5.01 | 10.93 | -39.08 | 2 | 1 | 1 | 17 | 288.48 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.01 | 9.9 | -3.09 | 1 | 1 | 0 | 12 | 287.472 | 4 | ↓ |