UCSF

ZINC67954569

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 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) 1.97 5.15 -50.39 3 6 1 67 340.451 5
Hi High (pH 8-9.5) 1.97 3.78 -8.71 2 6 0 62 339.443 5
Mid Mid (pH 6-8) 1.97 7.42 -99.96 4 6 2 68 341.459 5

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

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