UCSF

ZINC22635981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 28 Yes

Popular Name: (3,4-diethoxyphenyl)-ethyl-BLAHol (3,4-diethoxyphenyl)-ethyl-BLAHol

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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) 2.99 5.38 -44.65 3 6 1 68 402.54 6 ↓
Mid Mid (pH 6-8) 2.99 2.99 -12.67 2 6 0 66 401.532 6 ↓
Lo Low (pH 4.5-6) 2.99 6.93 -97.76 4 6 2 69 403.548 6 ↓

Activity (Go SEA)

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