UCSF

ZINC40084593

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 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) 6.66 14.8 -45.31 0 7 -1 88 536.689 14
Lo Low (pH 4.5-6) 6.66 14.05 -11.33 1 7 0 85 537.697 14

Activity (Go SEA)

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