In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2011 | 18 | Yes |
Popular Name: (1S)-2-[(4-bromo-2-thienyl)methylamino]-1-(4-chlorophenyl)ethanol (1S)-2-[(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) | 3.62 | 4.83 | -4.85 | 2 | 2 | 0 | 32 | 346.677 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.62 | 6.17 | -49.6 | 3 | 2 | 1 | 37 | 347.685 | 5 | ↓ |