| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(aminomethyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-[(5-chlor…
| 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) | 1.11 | 1.42 | -52.88 | 3 | 4 | 1 | 65 | 323.891 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 0.95 | -10.31 | 2 | 4 | 0 | 63 | 322.883 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
