UCSF

ZINC40019457

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 6.00 14.55 -76.31 1 7 0 83 522.686 15
Lo Low (pH 4.5-6) 6.00 13.78 -50.67 2 7 1 81 523.694 15

Activity (Go SEA)

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