UCSF

ZINC69894620

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 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) 2.74 9.61 -39.35 1 4 1 38 285.367 2
Hi High (pH 8-9.5) 2.74 7.42 -8.27 0 4 0 37 284.359 2

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

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