In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2011 | 15 | Yes |
Popular Name: (3S,4S)-N3-cyclopropyl-N3-(cyclopropylmethyl)tetrahydropyran-3,4-diamine (3S,4S)-N3-cyclopropyl-N3-(cyclo…
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) | 0.55 | 2.56 | -41.73 | 3 | 3 | 1 | 40 | 211.329 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.55 | 1.97 | -1.48 | 2 | 3 | 0 | 38 | 210.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 3.87 | -29.32 | 3 | 3 | 1 | 40 | 211.329 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.55 | 4.53 | -110.33 | 4 | 3 | 2 | 41 | 212.337 | 4 | ↓ |