UCSF

ZINC39228006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 22 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) 3.31 5.63 -11.72 2 4 0 48 299.418 4
Mid Mid (pH 6-8) 3.31 7.86 -50.78 3 4 1 49 300.426 4

Activity (Go SEA)

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