In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 24 | No |
Popular Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-yl-pentyl]-3-(2-nitrophenyl)urea 1-[(2R)-4-methyl-2-pyrrolidin-1-…
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) | 3.43 | 8.79 | -42.51 | 3 | 7 | 1 | 91 | 335.428 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 6.72 | -9.14 | 2 | 7 | 0 | 90 | 334.42 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.