In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 18 | Yes |
Popular Name: N1-[(3S)-1-methylpyrrolidin-3-yl]-4-(trifluoromethyl)benzene-1,2-diamine N1-[(3S)-1-methylpyrrolidin-3-yl…
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) | 2.92 | 5.02 | -41.85 | 4 | 3 | 1 | 42 | 260.283 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 2.32 | -3.92 | 3 | 3 | 0 | 41 | 259.275 | 3 | ↓ |