In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 21 | Yes |
Popular Name: 6-[(3S)-3-phenylpiperazin-1-yl]pyridine-3-carboxylic 6-[(3S)-3-phenylpiperazin-1-yl]p…
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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) | 1.95 | 5.07 | -42.98 | 2 | 5 | 0 | 70 | 283.331 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 6.15 | -79.82 | 2 | 5 | 0 | 73 | 283.331 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 4.8 | -48.73 | 1 | 5 | -1 | 68 | 282.323 | 3 | ↓ |