UCSF

ZINC35017685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) -0.12 2.42 -68.26 2 11 0 136 482.538 6
Mid Mid (pH 6-8) -0.12 -0.38 -13.23 2 11 0 132 482.538 6
Mid Mid (pH 6-8) -0.12 0.18 -48.8 1 11 -1 134 481.53 6
Lo Low (pH 4.5-6) -0.12 3.5 -107.75 4 11 2 134 484.554 6
Lo Low (pH 4.5-6) -0.12 5.43 -63.61 3 11 1 137 483.546 6

Activity (Go SEA)

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