UCSF

ZINC04736829

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

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) 1.57 8.87 -64.3 3 8 1 103 368.417 8
Mid Mid (pH 6-8) 1.67 -0.78 -50.2 2 8 1 101 368.417 8
Mid Mid (pH 6-8) 1.57 8.9 -64.32 3 8 1 103 368.417 8
Mid Mid (pH 6-8) 1.57 8.41 -27.22 2 8 0 102 367.409 8
Mid Mid (pH 6-8) 1.57 8.62 -28.96 2 8 0 102 367.409 8
Mid Mid (pH 6-8) 1.57 8.64 -26.03 2 8 0 102 367.409 8
Mid Mid (pH 6-8) 1.57 8.38 -28.92 2 8 0 102 367.409 8

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

No pre-computed analogs available. Try a structural similarity search.