UCSF

ZINC04158155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 31 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) 5.67 15.78 -13.42 1 5 0 56 413.521 8
Mid Mid (pH 6-8) 5.67 16.16 -30.2 2 5 1 57 414.529 8

Activity (Go SEA)

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