UCSF

ZINC39767484

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 3.79 9.09 -14.17 2 8 0 116 389.824 6
Mid Mid (pH 6-8) 3.79 8.89 -44.01 1 8 -1 115 388.816 6

Activity (Go SEA)

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