UCSF

ZINC24966463

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 16 Yes

Popular Name: 4-(2-aminoethyl)-2-cyclohexylphenol 4-(2-aminoethyl)-2-cyclohexylphenol

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Download: MOL2 SDF SMILES Flexibase

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) 2.73 4.47 -48.57 4 2 1 48 220.336 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.51e-02 g/l DrugBank-experimental

Activity (Go SEA)

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