UCSF

ZINC40389778

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 20 Yes

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Vendors

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) 2.30 6.4 -10.07 0 4 0 30 273.38 5
Mid Mid (pH 6-8) 2.30 8.66 -49.72 1 4 1 31 274.388 5
Lo Low (pH 4.5-6) 2.30 8.97 -89.85 2 4 2 33 275.396 5

Activity (Go SEA)

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