UCSF

ZINC39325165

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 No

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) 3.86 8.95 -8.76 2 5 0 101 395.51 3
Mid Mid (pH 6-8) 3.86 11.22 -60.11 3 5 1 102 396.518 3

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