UCSF

ZINC59102887

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 39 No

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Annotations

Vendors

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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) 7.96 14.4 -59.33 0 7 -1 88 536.689 17
Lo Low (pH 4.5-6) 7.96 13.66 -12.22 1 7 0 85 537.697 17

Activity (Go SEA)

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