UCSF

ZINC33923124

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 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) -3.24 7.03 -27.27 2 9 1 97 411.486 5
Mid Mid (pH 6-8) -3.24 9.25 -81.04 3 9 2 98 412.494 5

Activity (Go SEA)

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