In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 35 | Yes |
Popular Name: (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4R)-1-benzyl-4-[(9-ethylcarb…
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) | 4.76 | 12.39 | -59.96 | 3 | 5 | 1 | 54 | 469.653 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.76 | 12 | -13.9 | 2 | 5 | 0 | 49 | 468.645 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.76 | 13.44 | -40.33 | 3 | 5 | 1 | 50 | 469.653 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 15.07 | -136.01 | 4 | 5 | 2 | 55 | 470.661 | 8 | ↓ |