In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: 4-[(2S)-3-amino-2-methyl-propyl]-N-isopropyl-1,4-diazepane-1-carboxamide 4-[(2S)-3-amino-2-methyl-propyl]…
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) | 0.93 | 4.86 | -118.26 | 5 | 5 | 2 | 64 | 258.41 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 4.49 | -43.64 | 4 | 5 | 1 | 63 | 257.402 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 3.3 | -52.68 | 4 | 5 | 1 | 63 | 257.402 | 4 | ↓ |