UCSF

ZINC31909272

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.21 8.15 -49.79 0 8 -1 106 329.336 9
Mid Mid (pH 6-8) 2.21 10.38 -58.71 1 8 0 108 330.344 9
Lo Low (pH 4.5-6) 2.21 10.79 -83.5 2 8 1 109 331.352 9
Lo Low (pH 4.5-6) 2.21 8.56 -42.87 1 8 0 108 330.344 9

Activity (Go SEA)

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