UCSF

ZINC39854060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 21 No

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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) 4.30 7.38 -13.18 1 4 0 55 365.614 2
Hi High (pH 8-9.5) 4.30 8.5 -62.53 0 4 -1 57 364.606 2
Hi High (pH 8-9.5) 4.30 7.75 -56.68 0 4 -1 57 364.606 2

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