UCSF

ZINC43221298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 26 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 7.29 -27.15 2 7 0 103 360.41 6
Mid Mid (pH 6-8) -0.04 6.15 -48.04 1 7 -1 99 359.402 6

Activity (Go SEA)

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