UCSF

ZINC59671543

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 43 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) 3.20 12.72 -110.34 8 13 -1 234 611.805 28
Lo Low (pH 4.5-6) 3.20 10.74 -59.6 9 13 0 231 612.813 28
Lo Low (pH 4.5-6) 3.20 10.74 -65.32 9 13 0 231 612.813 28

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