In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: 2-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]thiazole-4-carboxylic 2-[3-[(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) | 2.65 | 7.05 | -82.61 | 1 | 5 | 0 | 61 | 331.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 7.06 | -87.99 | 1 | 5 | 0 | 61 | 331.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 4.74 | -56.3 | 0 | 5 | -1 | 59 | 330.433 | 5 | ↓ |