UCSF

ZINC41661327

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 Yes

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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) 3.96 6.87 -37.97 2 2 1 20 365.133 5
Hi High (pH 8-9.5) 3.96 5.5 -1.47 1 2 0 15 364.125 5
Mid Mid (pH 6-8) 3.96 8.05 -35.09 2 2 1 16 365.133 5
Lo Low (pH 4.5-6) 3.96 8.95 -121.12 3 2 2 21 366.141 5

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Rings

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