| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | Yes |
Popular Name: (7S)-N2,5,5-trimethyl-N2-(4-pyridylmethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2,5,5-trimethyl-N2-(4-pyri…
| 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) | 0.64 | 6.26 | -47.03 | 3 | 4 | 1 | 57 | 303.455 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 5.93 | -7.34 | 2 | 4 | 0 | 55 | 302.447 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 6.57 | -102.58 | 4 | 4 | 2 | 58 | 304.463 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 7.02 | -170.17 | 5 | 4 | 3 | 59 | 305.471 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
