UCSF

ZINC67974651

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethylamino]methyl]pi (3S)-1-(cyclohexylmethyl)-3-hydr…

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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) 0.22 2.72 -58.83 5 8 1 119 352.459 7 ↓
Mid Mid (pH 6-8) 0.22 2.27 -11.43 4 8 0 114 351.451 7 ↓

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

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