UCSF

ZINC69892990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 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) 1.93 5.05 -21.28 1 7 0 66 339.399 4
Hi High (pH 8-9.5) 2.38 4.53 -46.67 0 7 -1 69 338.391 4
Mid Mid (pH 6-8) 1.93 7.38 -73.63 2 7 1 67 340.407 4
Lo Low (pH 4.5-6) 2.38 6.74 -57.88 1 7 0 70 339.399 4

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

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