In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 19 | No |
Popular Name: (7R)-N-propyl-2-thiomorpholino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-propyl-2-thiomorpholino-4…
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) | 3.16 | 8.36 | -39.84 | 2 | 3 | 1 | 33 | 298.501 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 7.03 | -4.65 | 1 | 3 | 0 | 28 | 297.493 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 8.76 | -93.26 | 3 | 3 | 2 | 34 | 299.509 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.