| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | No |
Popular Name: (3S)-3-(aminomethyl)-N-isopropyl-1,1-dioxo-N-(2-thienylmethyl)thiolan-3-amine (3S)-3-(aminomethyl)-N-isopropyl…
| 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) | 0.71 | 1.16 | -66.81 | 3 | 4 | 1 | 65 | 303.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.71 | 0.8 | -11.65 | 2 | 4 | 0 | 63 | 302.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
