In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | No |
Popular Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(3-chlorophenyl)piperazin-…
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) | 2.76 | 7.23 | -38.63 | 3 | 4 | 1 | 47 | 309.846 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 5 | -6.3 | 2 | 4 | 0 | 45 | 308.838 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 5.12 | -31.51 | 3 | 4 | 1 | 47 | 309.846 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 7.33 | -106.83 | 4 | 4 | 2 | 48 | 310.854 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.