UCSF

ZINC05433176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 24 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) 0.29 3.81 -34.85 2 7 0 118 344.396 6
Mid Mid (pH 6-8) 0.85 2.95 -21.15 2 7 0 118 344.396 6
Mid Mid (pH 6-8) 0.67 3.59 -21.48 2 7 0 118 344.396 6
Lo Low (pH 4.5-6) 0.67 3.87 -48.61 3 7 1 120 345.404 6
Lo Low (pH 4.5-6) 0.85 3.24 -50.69 3 7 1 120 345.404 6

Activity (Go SEA)

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