UCSF

ZINC59090279

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 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) 5.34 12.03 -103.24 3 2 2 21 284.532 11
Mid Mid (pH 6-8) 5.34 9.78 -36.38 2 2 1 20 283.524 11

Activity (Go SEA)

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