UCSF

ZINC33790553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 5.04 11.06 -19.79 2 7 0 108 486.911 5
Lo Low (pH 4.5-6) 5.04 11.38 -67.58 3 7 1 109 487.919 5

Activity (Go SEA)

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