In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 19 | Yes |
Popular Name: 4-[5-[(4-ethylpiperazin-1-yl)methyl]-3-thienyl]but-3-yn-1-ol 4-[5-[(4-ethylpiperazin-1-yl)met…
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) | 1.67 | 5.24 | -36.41 | 2 | 3 | 1 | 28 | 279.429 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 5.23 | -37.82 | 2 | 3 | 1 | 28 | 279.429 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 2.97 | -5.17 | 1 | 3 | 0 | 27 | 278.421 | 4 | ↓ |