In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 23 | Yes |
Popular Name: N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-5-ureido-pentanamide N-[(2S)-2-pyrrolidin-1-yl-2-(2-t…
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) | 1.44 | 3.5 | -47.09 | 5 | 6 | 1 | 89 | 339.485 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 1.33 | -18.28 | 4 | 6 | 0 | 87 | 338.477 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.