UCSF

ZINC22704536

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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) 1.88 7.97 -59.26 3 8 1 95 460.624 10
Hi High (pH 8-9.5) 1.88 5.66 -27.99 2 8 0 94 459.616 10
Lo Low (pH 4.5-6) 1.88 8.86 -84.25 4 8 2 97 461.632 10

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

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