UCSF

ZINC05311269

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 28 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) 5.12 12.32 -10.31 1 6 0 88 375.428 6
Lo Low (pH 4.5-6) 5.12 12.68 -38.77 2 6 1 89 376.436 6

Activity (Go SEA)

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