UCSF

ZINC38788828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 33 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) 1.89 7.03 -95.21 6 9 0 155 470.655 23
Lo Low (pH 4.5-6) 1.89 5.05 -62.44 7 9 1 152 471.663 23

Activity (Go SEA)

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