UCSF

ZINC34677688

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Substance Information

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

Popular Name: (3R)-N,N-diethyl-1-[2-[[4-[(2R)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]oxazole-4-carbonyl]piperid (3R)-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) 1.49 6.01 -52.06 2 9 1 95 476.642 11 ↓
Mid Mid (pH 6-8) 1.49 3.74 -11.49 1 9 0 93 475.634 11 ↓
Lo Low (pH 4.5-6) 1.49 6.03 -48.86 2 9 1 95 476.642 11 ↓

Activity (Go SEA)

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