In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 21 | Yes |
Popular Name: 4-[(3S)-3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic 4-[(3S)-3-(diethylamino)pyrrolid…
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) | 0.81 | 4.06 | -72.66 | 2 | 7 | 0 | 98 | 315.395 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 1.91 | -50.24 | 1 | 7 | -1 | 97 | 314.387 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.