UCSF

ZINC26335303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 27 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) 2.67 8.51 -45.86 2 6 1 57 375.537 8
Hi High (pH 8-9.5) 2.67 8.95 -46.93 2 6 1 57 375.537 8
Hi High (pH 8-9.5) 2.67 6.68 -15.68 1 6 0 56 374.529 8
Lo Low (pH 4.5-6) 2.67 10.77 -122.95 3 6 2 58 376.545 8

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