UCSF

ZINC14808196

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 14 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) 1.19 1.91 -33.87 5 4 1 74 210.644 2
Ref Reference (pH 7) 1.06 1.92 -12.13 4 4 0 74 209.636 1
Lo Low (pH 4.5-6) 1.06 1.63 -34.61 5 4 1 76 210.644 1
Lo Low (pH 4.5-6) 1.06 1.9 -32.81 5 4 1 76 210.644 1

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

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