UCSF

ZINC39917553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 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) 4.25 12.1 -45.47 1 6 1 44 437.608 11
Hi High (pH 8-9.5) 4.25 9.73 -12.64 0 6 0 43 436.6 11
Mid Mid (pH 6-8) 4.25 11.98 -48.89 1 6 1 44 437.608 11
Lo Low (pH 4.5-6) 4.25 12.39 -81.83 2 6 2 45 438.616 11

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