UCSF

ZINC39917602

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 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) 4.24 9.58 -10.39 0 5 0 40 399.922 8
Mid Mid (pH 6-8) 4.24 11.84 -45.72 1 5 1 41 400.93 8
Lo Low (pH 4.5-6) 4.24 12.26 -99.92 2 5 2 42 401.938 8

Activity (Go SEA)

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