UCSF

ZINC39228002

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 37 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) 4.67 9.69 -41.52 3 8 1 86 500.575 6
Mid Mid (pH 6-8) 4.67 7.63 -18.62 2 8 0 85 499.567 6

Activity (Go SEA)

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