In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | Yes |
Popular Name: 7-[(4-benzylpiperazin-1-yl)methyl]-3-(4-fluorophenyl)-1,2-benzoxazol-6-ol 7-[(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) | 4.55 | 9.58 | -39.83 | 2 | 5 | 1 | 54 | 418.492 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.55 | 8.07 | -42.36 | 0 | 5 | -1 | 56 | 416.476 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 7.32 | -9.59 | 1 | 5 | 0 | 53 | 417.484 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 9.59 | -40.55 | 2 | 5 | 1 | 54 | 418.492 | 5 | ↓ |