UCSF

ZINC30530655

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 34 Yes

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) 2.45 8.51 -23.04 3 8 0 105 458.518 9
Mid Mid (pH 6-8) 2.45 8.91 -49.8 4 8 1 107 459.526 9

Activity (Go SEA)

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