In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 6th, 2009 | 32 | Yes |
Popular Name: (2S)-1-(adamantane-1-carbonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(adamantane-1-carbonyl)-N…
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) | 4.20 | 12.44 | -30.05 | 1 | 6 | 0 | 75 | 450.608 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 11.38 | -63.89 | 0 | 6 | -1 | 82 | 449.6 | 5 | ↓ |