UCSF

ZINC35760946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 24 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) 2.55 7.32 -11.68 0 5 0 44 337.508 6
Mid Mid (pH 6-8) 2.55 9.81 -45.55 1 5 1 45 338.516 6

Activity (Go SEA)

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