UCSF

ZINC33931041

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 27 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) -0.04 7.91 -39.39 2 7 0 103 370.405 7
Hi High (pH 8-9.5) -0.04 6.67 -47.65 1 7 -1 99 369.397 7

Activity (Go SEA)

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