In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 17 | Yes |
Popular Name: (2S)-2-[[(1R)-1-(5-bromo-2-thienyl)ethyl]amino]-N-propyl-propanamide (2S)-2-[[(1R)-1-(5-bromo-2-thien…
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) | 3.20 | 5.52 | -38.3 | 3 | 3 | 1 | 46 | 320.276 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 4.4 | -6.97 | 2 | 3 | 0 | 41 | 319.268 | 6 | ↓ |