UCSF

ZINC09380177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 39 No

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) 4.74 13.04 -54.63 2 8 1 90 539.693 14
Mid Mid (pH 6-8) 4.15 2.36 -65.97 1 8 1 86 539.693 14

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