UCSF

ZINC12501834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 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) 0.30 -0.9 -12.51 4 8 0 119 297.34 3
Lo Low (pH 4.5-6) 0.30 -0.65 -34.48 5 8 1 121 298.348 3
Lo Low (pH 4.5-6) 0.30 -5.06 -31.3 5 8 1 121 298.348 3

Activity (Go SEA)

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