In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 15 | No |
Popular Name: 3-amino-N-methyl-N-(1-methyl-4-piperidyl)-3-thioxo-propanamide 3-amino-N-methyl-N-(1-methyl-4-p…
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) | -0.73 | 4.18 | -51.95 | 3 | 4 | 1 | 51 | 230.357 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.73 | 1.76 | -19.93 | 2 | 4 | 0 | 50 | 229.349 | 3 | ↓ |