In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 21 | No |
Popular Name: 2-[(benzyl-isopropyl-amino)methyl]benzenecarbothioamide 2-[(benzyl-isopropyl-amino)methy…
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) | 3.56 | 9.46 | -28.75 | 3 | 2 | 1 | 30 | 299.463 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 8.83 | -8.34 | 2 | 2 | 0 | 29 | 298.455 | 6 | ↓ |