UCSF

ZINC06239347

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 33 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) 4.59 6.02 -11.03 4 7 0 117 442.519 4
Mid Mid (pH 6-8) 4.59 5.41 -10.41 4 7 0 117 442.519 4
Lo Low (pH 4.5-6) 4.60 6.3 -61.5 5 7 1 119 443.527 4

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