UCSF

ZINC41537943

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.77 6.37 -45.21 1 4 -1 69 252.265 5
Lo Low (pH 4.5-6) 1.77 4.39 -8.45 2 4 0 66 253.273 5

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Rings

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