UCSF

ZINC49820504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 50 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) 9.91 24.01 -195.32 8 6 3 95 711.286 43
Hi High (pH 8-9.5) 9.91 22.28 -45.91 6 6 1 89 709.27 43
Hi High (pH 8-9.5) 9.91 22.66 -110.78 7 6 2 91 710.278 43

Activity (Go SEA)

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