UCSF

ZINC07157717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.95 6.23 -9.54 2 5 0 82 348.83 5
Hi High (pH 8-9.5) 3.95 7.16 -45.02 1 5 -1 85 347.822 5

Activity (Go SEA)

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