UCSF

ZINC33359455

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 21 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) 1.06 4.29 -47.77 3 6 1 63 289.359 4
Hi High (pH 8-9.5) 1.06 2.95 -10.44 2 6 0 59 288.351 4
Lo Low (pH 4.5-6) 1.06 4.94 -93.76 4 6 2 64 290.367 4

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

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