UCSF

ZINC27134901

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 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) 4.60 11.01 -46.4 2 4 1 50 356.515 5
Mid Mid (pH 6-8) 5.06 9.95 -40.92 1 4 0 53 355.507 5

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