UCSF

ZINC00164064

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 Yes

Popular Name: 2-ETHYL-2-METHYL-1,3-PROPANEDIOL 2-ETHYL-2-METHYL-1,3-PROPANEDIOL

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CAS Number: 77-84-9

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) 0.54 -1.78 -3.58 2 2 0 40 118.176 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 43 TCI

Activity (Go SEA)

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