UCSF

ZINC48725662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 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) 1.41 3.58 -4.79 1 5 0 53 295.77 2
Mid Mid (pH 6-8) 1.41 5.93 -39.84 2 5 1 54 296.778 2

Activity (Go SEA)

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