In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 22 | No |
Popular Name: (4S)-N-[(2R)-2-(dimethylamino)-2-(3-thienyl)ethyl]-3-propanoyl-thiazolidine-4-carboxamide (4S)-N-[(2R)-2-(dimethylamino)-2…
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) | 1.21 | 7.65 | -48.33 | 2 | 5 | 1 | 54 | 342.51 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 5.15 | -13.78 | 1 | 5 | 0 | 53 | 341.502 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.