In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 16 | No |
Popular Name: (2S)-N-(2-dimethylaminoethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-butanamide (2S)-N-(2-dimethylaminoethyl)-2-…
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) | 0.71 | 0.6 | -49.11 | 5 | 6 | 1 | 92 | 231.32 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.90 | -1.18 | -36.08 | 4 | 6 | 0 | 98 | 230.312 | 6 | ↓ |