In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: (2R)-2-[[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]amino]-N,N-diethyl-propanamide (2R)-2-[[(1S)-1-(3-chloro-4-fluo…
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) | 3.26 | 8.1 | -41.86 | 2 | 3 | 1 | 37 | 301.813 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 7.31 | -9.68 | 1 | 3 | 0 | 32 | 300.805 | 6 | ↓ |