In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 22 | Yes |
Popular Name: 2-[(S)-o-tolyl-piperazin-1-yl-methyl]-5,6-dihydro-4H-cyclopenta[d]thiazole 2-[(S)-o-tolyl-piperazin-1-yl-me…
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) | 2.85 | 7.13 | -44.48 | 2 | 3 | 1 | 33 | 314.478 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 5.73 | -6.87 | 1 | 3 | 0 | 28 | 313.47 | 3 | ↓ |