UCSF

ZINC33870630

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 38 No

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Annotations

Vendors

    None

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) 0.36 12.33 -46.38 1 13 -1 194 516.446 7
Lo Low (pH 4.5-6) 0.36 11.51 -57.98 2 13 0 195 517.454 7

Activity (Go SEA)

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