UCSF

ZINC34677693

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 Yes

Popular Name: (3S)-N,N-diethyl-1-[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]oxazole-4-carbonyl]piperidine-3 (3S)-N,N-diethyl-1-[2-[[4-[(2R)-…

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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) 2.01 6.22 -50.46 2 9 1 95 478.658 11 ↓
Mid Mid (pH 6-8) 2.01 3.93 -11.57 1 9 0 93 477.65 11 ↓
Lo Low (pH 4.5-6) 2.01 6.23 -46.88 2 9 1 95 478.658 11 ↓

Activity (Go SEA)

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