UCSF

ZINC33712542

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 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) 5.66 8.92 -10.01 1 5 0 64 445.338 5
Ref Reference (pH 7) 5.66 8.45 -10.61 1 5 0 64 445.338 5
Hi High (pH 8-9.5) 5.66 9.37 -43.49 0 5 -1 67 444.33 5
Hi High (pH 8-9.5) 5.66 9.83 -42.58 0 5 -1 67 444.33 5

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