UCSF

ZINC01846730

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 22 Yes

Popular Name: Benzoic acid, p-(2-piperidinopropionamido)-, ethyl ester, hydrochloride; Ethyl 4-(2-piperidinopropionylamino)benzoate hydrochloride; LS-38208; p-(2-Piperidinopropionamido)benzoic acid ethyl ester hydrochloride Benzoic acid, p-(2-piperidinopro…

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Physical Representations

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) 2.93 8.77 -41.91 2 5 1 60 305.398 6 ↓
Hi High (pH 8-9.5) 3.12 4.92 -42.55 0 5 -1 65 303.382 6 ↓
Hi High (pH 8-9.5) 3.12 7.09 -29.88 1 5 0 66 304.39 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )