In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2009 | 21 | No |
Popular Name: (2S)-1-(dimethylamino)-3-[2-nitro-4-(trifluoromethyl)anilino]propan-2-ol (2S)-1-(dimethylamino)-3-[2-nitr…
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) | 1.96 | 5.32 | -43.5 | 3 | 6 | 1 | 83 | 308.28 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 2.75 | -8.51 | 2 | 6 | 0 | 81 | 307.272 | 7 | ↓ |