UCSF

ZINC59259587

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 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) -5.33 0.69 -198.14 11 12 1 239 347.352 10
Hi High (pH 8-9.5) -5.33 -0.04 -122.58 9 12 -1 236 345.336 10
Mid Mid (pH 6-8) -5.33 0.21 -148.79 10 12 0 237 346.344 10
Mid Mid (pH 6-8) -5.33 0.32 -148.76 10 12 0 237 346.344 10
Lo Low (pH 4.5-6) -5.33 -1.29 -189.48 12 12 2 236 348.36 10

Activity (Go SEA)

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