In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 19 | Yes |
Popular Name: (1S)-N-[(4-bromo-2-thienyl)methyl]-N-methyl-1-(m-tolyl)ethane-1,2-diamine (1S)-N-[(4-bromo-2-thienyl)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) | 3.19 | 6.4 | -48.13 | 3 | 2 | 1 | 31 | 340.31 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 8.38 | -128.11 | 4 | 2 | 2 | 32 | 341.318 | 5 | ↓ |