In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: 1-[4-[(1R)-3-amino-1-ethyl-propyl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[(1R)-3-amino-1-ethyl-propy…
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) | 1.15 | 3.57 | -49.18 | 3 | 4 | 1 | 51 | 256.414 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.15 | 5.29 | -118.42 | 4 | 4 | 2 | 52 | 257.422 | 6 | ↓ |