UCSF

ZINC59215809

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 27 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) -0.96 4.57 -114.8 2 7 -2 127 400.231 9
Lo Low (pH 4.5-6) -0.96 5.93 -52.72 3 7 -1 128 401.239 9

Activity (Go SEA)

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