In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2009 | 17 | Yes |
Popular Name: 3-[(3S)-2-oxo-1,3,4,5-tetrahydro-1,4-benzodiazepin-3-yl]propanamide 3-[(3S)-2-oxo-1,3,4,5-tetrahydro…
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) | -0.25 | 0.59 | -59.09 | 5 | 5 | 1 | 89 | 234.279 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.25 | -0.72 | -18.51 | 4 | 5 | 0 | 84 | 233.271 | 3 | ↓ |