In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-cyclopropyl-propan-1-one (2S)-2-amino-1-(4-tert-butylpipe…
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) | 1.46 | 2.61 | -38.2 | 3 | 4 | 1 | 51 | 254.398 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.46 | 4.69 | -89.84 | 4 | 4 | 2 | 52 | 255.406 | 3 | ↓ |