UCSF

ZINC03063275

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 14 No

Popular Name: 2,3-DIMETHYL-1,4-NAPHTHOQUINONE 2,3-DIMETHYL-1,4-NAPHTHOQUINONE

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CAS Number: 2197-57-1

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) 2.42 1.78 -6.5 0 2 0 34 186.21 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.12e-01 g/l DrugBank-experimental

Activity (Go SEA)

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