In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 21 | Yes |
Popular Name: (3S)-N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-[1-(hydroxymethyl)cyclohe…
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) | 1.93 | 2.86 | -7.06 | 3 | 4 | 0 | 61 | 288.391 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 4.25 | -38.39 | 4 | 4 | 1 | 66 | 289.399 | 3 | ↓ |