In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 21 | Yes |
Popular Name: (2S)-N-methyl-2-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanamine (2S)-N-methyl-2-phenyl-2-[[5-(tr…
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) | 3.90 | 8.75 | -42.77 | 2 | 2 | 1 | 29 | 313.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 7.4 | -3.59 | 1 | 2 | 0 | 25 | 312.36 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.