UCSF

ZINC49346478

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 17 No

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Annotations

Vendors

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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) 1.36 5.07 -8.09 1 5 0 60 234.255 4
Hi High (pH 8-9.5) 1.55 3.49 -49.64 0 5 -1 66 233.247 4

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

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