UCSF

ZINC02041923

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 11 Yes

Popular Name: 1,2-Propanediol, 3-(3-methylbutoxy)-; 1,2-Propanediol, 3-isopentyloxy-; 1-Isoamyl glycerol ether; BRN 1699132; LS-120531; NSC 26599 1,2-Propanediol, 3-(3-methylbuto…

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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) 0.67 -4.07 -7.15 2 3 0 49 162.229 6 ↓

Activity (Go SEA)

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