UCSF

ZINC14008720

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 32 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) 7.23 11.38 -10.09 1 5 0 64 513.388 6
Ref Reference (pH 7) 7.23 11.8 -10.35 1 5 0 64 513.388 6
Hi High (pH 8-9.5) 7.68 9.6 -46.7 0 5 -1 67 512.38 6
Hi High (pH 8-9.5) 7.68 10.3 -45.76 0 5 -1 67 512.38 6
Mid Mid (pH 6-8) 6.74 11.25 -42.66 0 5 -1 63 512.38 7
Lo Low (pH 4.5-6) 6.74 11.74 -15.86 1 5 0 60 513.388 7

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

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