UCSF

ZINC25460170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.06 7.56 -44.03 2 5 1 49 366.57 8
Hi High (pH 8-9.5) 3.06 6.14 -6.84 1 5 0 45 365.562 8
Lo Low (pH 4.5-6) 3.06 10.14 -113.7 3 5 2 51 367.578 8
Lo Low (pH 4.5-6) 3.06 8.76 -38.67 2 5 1 46 366.57 8

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