| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 14 | Yes |
Popular Name: Benzoic acid, 2-[(3-aminopropyl)amino]- (9CI) Benzoic acid, 2-[(3-aminopropyl)…
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CAS Number: 736904-63-5
| 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) | 0.91 | 1.91 | -76.24 | 4 | 4 | 0 | 80 | 194.234 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 0.81 | -48.7 | 5 | 4 | 1 | 77 | 195.242 | 5 | ↓ |
