UCSF

ZINC54898339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 2.85 7.92 -10.33 2 6 0 85 384.867 8
Hi High (pH 8-9.5) 3.04 7.12 -38.56 1 6 -1 92 383.859 8
Lo Low (pH 4.5-6) 2.85 8.35 -80.95 3 6 0 86 385.875 8

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

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