In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 19 | Yes |
Popular Name: 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]benzoic 4-[[[(2S)-1-ethylpyrrolidin-2-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) | 2.20 | 6.16 | -79.71 | 2 | 4 | 0 | 60 | 262.353 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 7.17 | -72.86 | 2 | 4 | 0 | 57 | 262.353 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 8.48 | -145.67 | 3 | 4 | 1 | 61 | 263.361 | 6 | ↓ |