In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 31 | No |
Popular Name: 2-[6-benzyl-6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-1,4-diazepan-1-yl]acetic 2-[6-benzyl-6-[bis(carboxymethyl…
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) | -4.43 | 10.39 | -190.13 | 1 | 11 | -3 | 171 | 434.425 | 11 | ↓ |
Hi High (pH 8-9.5) | -4.43 | 7.96 | -275.31 | 0 | 11 | -4 | 170 | 433.417 | 11 | ↓ |