UCSF

ZINC59816576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 31 Yes

Popular Name: 2-[(2S,5S)-5-(cyclohexylmethyl)-1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-3,6-dioxo-piperazin-2-yl]ac 2-[(2S,5S)-5-(cyclohexylmethyl)-…

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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) 2.52 8.49 -53 2 8 -1 119 431.509 9 ↓
Lo Low (pH 4.5-6) 2.52 6.52 -16.29 3 8 0 116 432.517 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.