In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 19 | Yes |
Popular Name: [4-[(1S)-3-amino-1-ethyl-propyl]piperazin-1-yl]-(2-furyl)methanone [4-[(1S)-3-amino-1-ethyl-propyl]…
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) | 0.47 | 4.13 | -125.01 | 4 | 5 | 2 | 66 | 267.373 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 2.52 | -51.78 | 3 | 5 | 1 | 64 | 266.365 | 5 | ↓ |