In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 23 | Yes |
Popular Name: (4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)chroman-4-amine (4S)-N-(3,4-dihydro-2H-1,5-benzo…
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) | 2.27 | 8.01 | -44.81 | 2 | 4 | 1 | 44 | 312.389 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 6.78 | -9.11 | 1 | 4 | 0 | 40 | 311.381 | 3 | ↓ |