In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 21 | Yes |
Popular Name: N-methyl-1-[4-[(4-phenylpiperazin-1-yl)methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[(4-phenylpiperazi…
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) | 1.79 | 7.67 | -96.99 | 3 | 4 | 2 | 37 | 304.463 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 3.99 | -6.41 | 1 | 4 | 0 | 31 | 302.447 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.43 | -41.73 | 2 | 4 | 1 | 36 | 303.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.