UCSF

ZINC33826886

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 Yes

Popular Name: 1-(3-Aminopropyl)-4-(2-naphthyl)piperazine dimaleate; 1-Piperazinepropanamine, 4-(2-naphthalenyl)-, (Z)-2-butenedioate (1:2); 4-(2-Naphthalenyl)-1-piperazinepropanamine dimaleate; LS-113243 1-(3-Aminopropyl)-4-(2-naphthyl)…

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Annotations

Vendors

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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) 2.19 7.75 -114.29 4 3 2 35 271.408 4 ↓
Hi High (pH 8-9.5) 2.19 5.16 -5.01 2 3 0 32 269.392 4 ↓
Mid Mid (pH 6-8) 2.19 5.53 -46.48 3 3 1 34 270.4 4 ↓
Mid Mid (pH 6-8) 2.19 7.37 -40.51 3 3 1 34 270.4 4 ↓

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