UCSF

ZINC39870187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

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Annotations

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) 4.54 8.79 -42.61 0 8 -1 109 420.426 4
Lo Low (pH 4.5-6) 4.54 9.39 -10.89 1 8 0 107 421.434 4

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