In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 21 | Yes |
Popular Name: 1-[4-[[(1S)-1-(5-bromo-2-thienyl)ethyl]amino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[[(1S)-1-(5-bromo-2-thienyl…
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) | 4.33 | 8.3 | -51.07 | 2 | 3 | 1 | 37 | 374.368 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.33 | 7.2 | -8.44 | 1 | 3 | 0 | 32 | 373.36 | 4 | ↓ |