In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2009 | 26 | Yes |
Popular Name: [4-(2-methylthiazol-4-yl)-1H-pyrrol-2-yl]-[4-(2-pyridylmethyl)piperazin-1-yl]methanone [4-(2-methylthiazol-4-yl)-1H-pyr…
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) | 0.90 | 5.61 | -19.8 | 1 | 6 | 0 | 65 | 367.478 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 7.9 | -56.81 | 2 | 6 | 1 | 66 | 368.486 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 6 | -52.36 | 2 | 6 | 1 | 66 | 368.486 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.90 | 8.29 | -137.09 | 3 | 6 | 2 | 68 | 369.494 | 4 | ↓ |