UCSF

ZINC40018913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 4.71 12.01 -74.69 1 6 0 78 444.597 13
Lo Low (pH 4.5-6) 4.71 11.25 -49.22 2 6 1 75 445.605 13

Activity (Go SEA)

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