UCSF

ZINC22894812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.82 11.27 -17.11 0 6 0 54 417.557 3
Mid Mid (pH 6-8) 2.82 13.15 -52.38 1 6 1 55 418.565 3

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