UCSF

ZINC40123192

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 3.99 7.37 -52.65 1 5 -1 78 384.839 6
Lo Low (pH 4.5-6) 3.99 6.61 -12.39 2 5 0 76 385.847 6

Activity (Go SEA)

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