In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 27 | Yes |
Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-chloro-7-hydroxy-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…
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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) | 3.41 | 7.27 | -48.59 | 2 | 5 | 1 | 58 | 385.871 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 5.8 | -40.81 | 0 | 5 | -1 | 60 | 383.855 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 5.03 | -9.72 | 1 | 5 | 0 | 57 | 384.863 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 7.29 | -51.04 | 2 | 5 | 1 | 58 | 385.871 | 4 | ↓ |