In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: 2-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiazol-4-yl]acetic 2-[2-[4-[(4-methylpiperazin-1-yl…
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CAS Number: N/A
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) | 2.15 | 7.22 | -77.47 | 1 | 5 | 0 | 61 | 331.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 7.15 | -81.87 | 1 | 5 | 0 | 61 | 331.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 4.75 | -54.91 | 0 | 5 | -1 | 59 | 330.433 | 5 | ↓ |