UCSF

ZINC52953903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 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) 3.17 9.25 -14.18 1 5 0 56 355.825 4
Mid Mid (pH 6-8) 3.17 9.73 -37.21 2 5 1 57 356.833 4

Activity (Go SEA)

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