In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | No |
Popular Name: (1R,2R)-2-imidazol-1-yl-N-[(2-nitrophenyl)methyl]cyclopentanamine (1R,2R)-2-imidazol-1-yl-N-[(2-ni…
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) | 1.97 | 10.54 | -100.71 | 3 | 6 | 2 | 82 | 288.351 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 8.58 | -11.13 | 1 | 6 | 0 | 76 | 286.335 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 9.8 | -51.05 | 2 | 6 | 1 | 80 | 287.343 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 9.32 | -31.21 | 2 | 6 | 1 | 77 | 287.343 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.