In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 4-chloro-2-[[[(S)-cyclopropyl(phenyl)methyl]amino]methyl]phenol 4-chloro-2-[[[(S)-cyclopropyl(ph…
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) | 4.54 | 7.87 | -40.08 | 3 | 2 | 1 | 37 | 288.798 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 6.76 | -3.85 | 2 | 2 | 0 | 32 | 287.79 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.54 | 8.63 | -28.14 | 2 | 2 | 0 | 40 | 287.79 | 5 | ↓ |