UCSF

ZINC33812503

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 32 No

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) 0.73 13.39 -82.25 1 9 0 116 475.596 6
Mid Mid (pH 6-8) 0.73 8.49 -56.54 0 9 -1 114 474.588 6

Activity (Go SEA)

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