UCSF

ZINC69486705

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 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) 1.12 9 -42.63 1 6 1 54 318.376 3
Hi High (pH 8-9.5) 1.12 6.61 -11.37 0 6 0 53 317.368 3
Lo Low (pH 4.5-6) 1.12 9.47 -81.49 2 6 2 55 319.384 3

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

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