UCSF

ZINC51002029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 19 Yes

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) 3.83 9.06 -3.27 3 3 0 43 277.799 2
Hi High (pH 8-9.5) 3.83 8.3 -6.45 2 3 0 41 276.791 2
Mid Mid (pH 6-8) 4.51 8.11 -15.02 2 5 0 75 413.449 6
Lo Low (pH 4.5-6) 4.51 8.56 -43.13 3 5 1 76 414.457 6

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

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