UCSF

ZINC40019396

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) 5.76 14.55 -69.71 1 7 0 87 521.702 17
Lo Low (pH 4.5-6) 5.76 13.8 -47.15 2 7 1 84 522.71 17

Activity (Go SEA)

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