In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (2S)-2-amino-1-[4-(thiophene-3-c…
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) | -1.09 | 2.21 | -54.68 | 3 | 5 | 1 | 68 | 268.362 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.09 | 1.89 | -13.68 | 2 | 5 | 0 | 67 | 267.354 | 2 | ↓ |