| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | No |
Popular Name: (3R)-3-methyl-1-(4-nitro-1,3-benzothiazol-5-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-nitro-1,3-ben…
| 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) | 2.33 | 7.99 | -61.91 | 0 | 7 | -1 | 102 | 306.323 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 8.23 | -56.1 | 1 | 7 | 0 | 103 | 307.331 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
