UCSF

ZINC69083018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 1.14 6.86 -30.55 2 5 1 58 274.392 6
Hi High (pH 8-9.5) 1.14 6.39 -14.11 1 5 0 57 273.384 6
Lo Low (pH 4.5-6) 1.14 8.04 -92.01 3 5 2 63 275.4 6

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

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