In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 24 | Yes |
Popular Name: (3S)-1-[(6-acetamido-2-quinolyl)methyl]-3-amino-pyrrolidine-3-carboxylic (3S)-1-[(6-acetamido-2-quinolyl)…
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) | -2.12 | 4.78 | -90.14 | 5 | 7 | 1 | 114 | 329.38 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.12 | 2.64 | -69.39 | 5 | 7 | 1 | 114 | 329.38 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.12 | 2.28 | -51.01 | 4 | 7 | 0 | 113 | 328.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.