In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 20 | No |
Popular Name: (3R)-3-[(2-methoxy-5-nitro-phenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(2-methoxy-5-nitro-pheny…
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) | 1.29 | 6.86 | -49.47 | 2 | 7 | 0 | 112 | 280.28 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 4.5 | -55.05 | 1 | 7 | -1 | 107 | 279.272 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.