UCSF

ZINC40123708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 2.78 3.94 -56.87 2 7 -1 108 396.419 7
Lo Low (pH 4.5-6) 2.78 3.18 -16.28 3 7 0 105 397.427 7

Activity (Go SEA)

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