In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 23 | No |
Popular Name: 2-(4-formylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide 2-(4-formylpiperazin-1-yl)-N-(5-…
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) | 1.24 | 3.3 | -49.71 | 0 | 7 | -1 | 85 | 330.393 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.24 | 5.57 | -46.9 | 1 | 7 | 0 | 86 | 331.401 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 4.02 | -21.04 | 1 | 7 | 0 | 78 | 331.401 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 6.17 | -57.38 | 2 | 7 | 1 | 80 | 332.409 | 4 | ↓ |