In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 25 | No |
Popular Name: (2R)-2-(4-isopropylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiazolidin-4-one (2R)-2-(4-isopropylphenyl)-3-[3-…
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) | 3.32 | 9.92 | -36.42 | 1 | 4 | 1 | 28 | 362.563 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 7.46 | -6.79 | 0 | 4 | 0 | 27 | 361.555 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.32 | 9.79 | -36.96 | 1 | 4 | 1 | 28 | 362.563 | 6 | ↓ |