UCSF

ZINC55154226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 1.71 5.67 -19.68 2 7 0 91 352.394 5
Hi High (pH 8-9.5) 1.89 3.08 -66.01 1 7 -1 98 351.386 5
Lo Low (pH 4.5-6) 1.71 6.05 -46.39 3 7 1 93 353.402 5

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

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