UCSF

ZINC49980687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 22 No

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Annotations

None

Vendors

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) 2.56 7.78 -39.97 2 5 1 54 347.266 7
Hi High (pH 8-9.5) 2.38 7.01 -37.29 1 5 0 60 346.258 7
Hi High (pH 8-9.5) 2.38 4.88 -51.58 0 5 -1 59 345.25 7

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