UCSF

ZINC20496007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 4.54 4.74 -18.09 1 6 0 77 378.215 5
Mid Mid (pH 6-8) 4.61 3.31 -44.62 0 6 -1 84 377.207 5

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