UCSF

ZINC05880629

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 24 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) 3.82 7.07 -8.26 2 5 0 67 387.65 5
Hi High (pH 8-9.5) 4.00 5.83 -44.1 1 5 -1 74 386.642 5

Activity (Go SEA)

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