UCSF

ZINC34866992

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 5.67 14.52 -21.76 1 5 0 60 509.052 8
Hi High (pH 8-9.5) 5.74 13.36 -65.34 0 5 -1 67 508.044 8

Activity (Go SEA)

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