In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(4-bromo-2-thienyl)methyl]-3,3-dimethyl-1-phenyl-butan-1-amine (1S)-N-[(4-bromo-2-thienyl)methy…
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) | 4.79 | 10.48 | -42.97 | 2 | 1 | 1 | 17 | 353.349 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.79 | 9.26 | -2.23 | 1 | 1 | 0 | 12 | 352.341 | 6 | ↓ |