UCSF

ZINC05159747

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 26 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) 1.87 8.34 -56.14 0 5 -1 87 369.418 5
Lo Low (pH 4.5-6) 1.87 7.88 -28.96 1 5 0 85 370.426 5

Activity (Go SEA)

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