UCSF

ZINC40004091

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 36 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) 4.94 14.3 -68.89 1 7 0 82 529.468 9
Lo Low (pH 4.5-6) 4.94 13.54 -50.58 2 7 1 79 530.476 9

Activity (Go SEA)

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