UCSF

ZINC12081130

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 29 No

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Annotations

None

Vendors

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) 4.63 9.07 -10.62 1 6 0 68 457.741 7
Hi High (pH 8-9.5) 4.82 7.54 -35.29 0 6 -1 74 456.733 7

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