UCSF

ZINC69762468

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 0.94 3.24 -38.59 2 3 1 29 231.385 3
Hi High (pH 8-9.5) 0.94 4.9 -34.86 2 3 1 26 231.385 3
Hi High (pH 8-9.5) 0.94 2.87 -2.64 1 3 0 24 230.377 3
Lo Low (pH 4.5-6) 0.94 5.12 -111.38 3 3 2 30 232.393 3

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

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