UCSF

ZINC40125879

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 3.48 7.06 -59.02 1 5 -1 78 382.461 7
Lo Low (pH 4.5-6) 3.48 6.29 -16.11 2 5 0 76 383.469 7

Activity (Go SEA)

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