UCSF

ZINC40101659

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 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) 3.28 7.95 -68.69 1 9 -1 125 496.536 14
Lo Low (pH 4.5-6) 3.28 7.2 -23.48 2 9 0 123 497.544 14

Activity (Go SEA)

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