In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 29 | Yes |
Popular Name: [(1R)-1-(4-benzhydrylpiperazine-1-carbonyl)butyl]urea [(1R)-1-(4-benzhydrylpiperazine-…
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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) | 3.22 | 6.51 | -8.51 | 3 | 6 | 0 | 79 | 394.519 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 9.59 | -50.87 | 4 | 6 | 1 | 80 | 395.527 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.