UCSF

ZINC58549978

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 33 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) 5.44 12.01 -50.47 0 7 -1 86 479.977 6
Lo Low (pH 4.5-6) 5.44 10.04 -9.11 1 7 0 83 480.985 6

Activity (Go SEA)

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