UCSF

ZINC71789610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 32 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) 0.50 1.7 -55.42 6 9 0 165 442.468 2
Hi High (pH 8-9.5) 0.50 0.37 -122.61 4 9 -2 167 440.452 2
Mid Mid (pH 6-8) 0.50 -0.62 -59.35 5 9 -1 164 441.46 2

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

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