UCSF

ZINC25385679

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 25 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) 3.44 8.02 -7.44 0 4 0 36 357.885 4
Mid Mid (pH 6-8) 3.44 10.36 -49.58 1 4 1 38 358.893 4

Activity (Go SEA)

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