UCSF

ZINC06813927

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 22 No

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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) 2.94 5.71 -54.07 1 4 -1 69 357.183 3
Mid Mid (pH 6-8) 3.39 5.08 -16.64 2 4 0 66 358.191 2
Mid Mid (pH 6-8) 2.36 5.99 -9.39 1 4 0 63 358.191 3

Activity (Go SEA)

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