UCSF

ZINC03041201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 Yes

Popular Name: 2,2-bis(hydroxymethyl)-3,4-dihydro-1(2H)-naphthalenone 2,2-bis(hydroxymethyl)-3,4-dihyd…

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CAS Number: 15121-83-2

Other Names:

MFCD00139856

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) 0.78 2.85 -13.69 2 3 0 58 206.241 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 88 - 90 KeyOrganics

Activity (Go SEA)

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