UCSF

ZINC35180684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) 2.47 7.26 -51.27 2 2 1 40 201.293 3
Mid Mid (pH 6-8) 2.47 6.26 -5.69 1 2 0 36 200.285 3

Activity (Go SEA)

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