UCSF

ZINC24872601

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 33 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) 2.32 6.02 -14.84 1 8 0 92 469.563 8
Mid Mid (pH 6-8) 2.32 8.3 -55.72 2 8 1 93 470.571 8

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