UCSF

ZINC39971301

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.09 7.23 -9.98 0 4 0 41 418.868 5
Mid Mid (pH 6-8) 4.09 9.44 -54.89 1 4 1 42 419.876 5

Activity (Go SEA)

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