UCSF

ZINC69684030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 15 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 4.6 -46.4 3 3 1 42 226.369 3
Hi High (pH 8-9.5) 1.97 3.33 -4.34 2 3 0 37 225.361 3
Lo Low (pH 4.5-6) 1.97 5 -89.6 4 3 2 43 227.377 3

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

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