In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 17 | Yes |
Popular Name: (2S)-N-[(5-bromo-2-thienyl)methyl]-1-morpholino-propan-2-amine (2S)-N-[(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) | 2.53 | 4.86 | -41.47 | 2 | 3 | 1 | 29 | 320.276 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 3.75 | -2.64 | 1 | 3 | 0 | 24 | 319.268 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 6.65 | -123.26 | 3 | 3 | 2 | 30 | 321.284 | 5 | ↓ |