UCSF

ZINC44477666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 20 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) 2.23 3.05 -5.94 1 4 0 42 279.38 4
Mid Mid (pH 6-8) 2.23 5.05 -40.28 2 4 1 43 280.388 4

Activity (Go SEA)

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