In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | Yes |
Popular Name: 6-[(3R)-3-aminopyrrolidin-1-yl]-N4-phenyl-pyrimidine-2,4-diamine 6-[(3R)-3-aminopyrrolidin-1-yl]-…
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) | 1.37 | 5.95 | -54.86 | 6 | 6 | 1 | 95 | 271.348 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 5.66 | -7.43 | 5 | 6 | 0 | 93 | 270.34 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 5.59 | -90.5 | 7 | 6 | 2 | 96 | 272.356 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 6.37 | -98.99 | 7 | 6 | 2 | 96 | 272.356 | 3 | ↓ |