UCSF

ZINC39917545

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 35 Yes

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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) 4.61 14.71 -45.35 1 6 1 44 477.673 13
Hi High (pH 8-9.5) 4.61 12.33 -13.44 0 6 0 43 476.665 13
Mid Mid (pH 6-8) 4.61 14.59 -48.64 1 6 1 44 477.673 13
Lo Low (pH 4.5-6) 4.61 15 -82.67 2 6 2 45 478.681 13

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