In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 20 | Yes |
Popular Name: (2R)-1-[isopropyl(2-pyridylmethyl)amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[isopropyl(2-pyridylmethy…
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) | 1.03 | 4.16 | -35.33 | 2 | 4 | 1 | 41 | 278.42 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 4.91 | -79.17 | 3 | 4 | 2 | 42 | 279.428 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 7.3 | -36.6 | 2 | 4 | 1 | 45 | 278.42 | 7 | ↓ |