In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1S,2R)-N2-methyl-N2-(3-pyridylmethyl)tetralin-1,2-diamine (1S,2R)-N2-methyl-N2-(3-pyridylm…
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) | 0.12 | 5.5 | -43.41 | 3 | 3 | 1 | 44 | 268.384 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 5.1 | -4.82 | 2 | 3 | 0 | 42 | 267.376 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.12 | 7.38 | -133.2 | 4 | 3 | 2 | 45 | 269.392 | 3 | ↓ |