UCSF

ZINC40102824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 38 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) 6.89 15.5 -67.57 0 6 -1 79 512.626 13
Lo Low (pH 4.5-6) 6.89 14.74 -16.3 1 6 0 76 513.634 13

Activity (Go SEA)

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