UCSF

ZINC62864228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 27 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) 2.86 12.16 -43.58 2 6 1 67 366.489 8
Hi High (pH 8-9.5) 2.86 10.04 -11.19 1 6 0 66 365.481 8
Lo Low (pH 4.5-6) 2.86 12.54 -81.85 3 6 2 69 367.497 8

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

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