UCSF

ZINC35454575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 1.02 1.94 -57.12 6 11 0 179 512.515 7
Hi High (pH 8-9.5) 1.02 2.38 -55.04 5 11 -1 177 511.507 7
Lo Low (pH 4.5-6) 1.02 0.07 -42.53 7 11 1 176 513.523 7

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