UCSF

ZINC40109819

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 37 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) 6.58 13.63 -61.12 0 6 -1 79 519.017 11
Lo Low (pH 4.5-6) 6.58 12.88 -15.49 1 6 0 76 520.025 11

Activity (Go SEA)

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