In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 15 | Yes |
Popular Name: (3-amino-2-thienyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (3-amino-2-thienyl)-[(2S)-2-(hyd…
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) | 0.44 | 1.55 | -11.09 | 3 | 4 | 0 | 67 | 226.301 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 1.44 | -34.65 | 4 | 4 | 1 | 68 | 227.309 | 2 | ↓ |