In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 19 | Yes |
Popular Name: (2S)-1-[(5-bromo-2-thienyl)methylamino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[(5-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) | 3.57 | 5.58 | -47.06 | 3 | 3 | 1 | 46 | 349.314 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 4.23 | -5.67 | 2 | 3 | 0 | 41 | 348.306 | 7 | ↓ |