UCSF

ZINC06715941

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 19 Yes

Popular Name: (2,3-Dihydro-benzo[1,4]dioxin-6-ylmethyl)-pyridin-3-ylmethyl-amine (2,3-Dihydro-benzo[1,4]dioxin-6-…

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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) 1.17 5.65 -51.51 2 4 1 48 257.313 4 ↓
Lo Low (pH 4.5-6) 1.17 5.93 -112.64 3 4 2 49 258.321 4 ↓

Activity (Go SEA)

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