UCSF

ZINC40113553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 4.61 10.95 -13.56 2 6 0 85 462.619 6
Hi High (pH 8-9.5) 4.80 9.41 -50.66 1 6 -1 92 461.611 6

Activity (Go SEA)

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