UCSF

ZINC69564742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 19 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) 1.63 8.92 -102.74 2 4 2 36 274.393 4
Hi High (pH 8-9.5) 1.63 6.45 -11.95 0 4 0 33 272.377 4
Mid Mid (pH 6-8) 1.63 8.81 -41.34 1 4 1 35 273.385 4

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

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