In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: (3S)-1-isopropyl-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]pyrrolidine-3-carboxamide (3S)-1-isopropyl-3-[[(2S)-tetrah…
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) | 0.10 | 0.74 | -33.21 | 4 | 5 | 1 | 69 | 256.37 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.10 | 1.97 | -108.06 | 5 | 5 | 2 | 73 | 257.378 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.10 | -0.4 | -42.6 | 4 | 5 | 1 | 72 | 256.37 | 5 | ↓ |