| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 17 | No |
Popular Name: 4-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,1-dioxo-thian-4-amine 4-(aminomethyl)-N-(3-methoxyprop…
| 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) | -0.74 | -1.75 | -62.58 | 3 | 5 | 1 | 74 | 265.399 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | -2.63 | -11.76 | 2 | 5 | 0 | 73 | 264.391 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.74 | -0.05 | -149.93 | 4 | 5 | 2 | 75 | 266.407 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
