In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | No |
Popular Name: 1-[(1R,2S,4S)-norbornan-2-yl]-3-[1-(2,2,2-trifluoroethyl)-4-piperidyl]thiourea 1-[(1R,2S,4S)-norbornan-2-yl]-3-…
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) | 3.17 | 7.36 | -11.08 | 2 | 3 | 0 | 27 | 335.439 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 9.47 | -47.87 | 3 | 3 | 1 | 28 | 336.447 | 6 | ↓ |