In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 19 | Yes |
Popular Name: (3R,4S)-N3-methyl-N3-tetrahydropyran-4-yl-chromane-3,4-diamine (3R,4S)-N3-methyl-N3-tetrahydrop…
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) | -0.31 | 1.96 | -47.72 | 3 | 4 | 1 | 49 | 263.361 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.31 | 1.63 | -4.61 | 2 | 4 | 0 | 48 | 262.353 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.31 | 4.18 | -125.89 | 4 | 4 | 2 | 51 | 264.369 | 2 | ↓ |