UCSF

ZINC03947481

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 34 No

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Annotations

None

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) 5.62 11.77 -58.83 1 4 -1 77 469.686 1
Lo Low (pH 4.5-6) 5.62 9.79 -11.69 2 4 0 75 470.694 1

Activity (Go SEA)

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