UCSF

ZINC40100452

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 37 No

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Annotations

Vendors

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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) 3.40 8.11 -68.83 1 8 -1 108 502.543 11
Lo Low (pH 4.5-6) 3.40 7.36 -21.93 2 8 0 106 503.551 11

Activity (Go SEA)

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