UCSF

ZINC41649751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 6.42 12.47 -8.24 0 4 0 43 437.539 3
Mid Mid (pH 6-8) 6.42 15.45 -45.7 1 4 1 44 438.547 3

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