In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 19 | No |
Popular Name: (3R)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridylmethyl)thian-3-amine (3R)-3-(aminomethyl)-N-methyl-1,…
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) | -0.76 | -0.02 | -55.99 | 3 | 5 | 1 | 78 | 284.405 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.76 | -0.74 | -12.26 | 2 | 5 | 0 | 76 | 283.397 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.76 | 0.13 | -114.78 | 4 | 5 | 2 | 79 | 285.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.