UCSF

ZINC49156193

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 20 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) 2.17 7.05 -14.09 1 7 0 101 292.32 4
Mid Mid (pH 6-8) 2.24 5.38 -46.71 0 7 -1 107 291.312 4

Activity (Go SEA)

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