In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2009 | 31 | Yes |
Popular Name: 1-(4-tert-butylphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopentanecarboxamide 1-(4-tert-butylphenyl)-N-methyl-…
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) | 5.00 | 12.84 | -14.97 | 1 | 5 | 0 | 66 | 417.553 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.46 | 11.72 | -49.54 | 0 | 5 | -1 | 69 | 416.545 | 5 | ↓ |