UCSF

ZINC40096462

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 31 No

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Annotations

Vendors

    None

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) -0.14 2.93 -60.14 1 9 -1 121 425.417 8
Lo Low (pH 4.5-6) -0.14 2.18 -17.18 2 9 0 118 426.425 8

Activity (Go SEA)

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