UCSF

ZINC39723789

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 28 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) 5.48 11.47 -22.21 1 7 0 101 455.348 6
Mid Mid (pH 6-8) 5.55 9.32 -47.15 0 7 -1 107 454.34 6

Activity (Go SEA)

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