UCSF

ZINC15319580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 31 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) 2.74 9.16 -13.61 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 8.46 -11.8 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 9.36 -22.67 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.74 9.12 -13.07 0 7 0 95 438.505 6
Lo Low (pH 4.5-6) 2.92 8.82 -32.93 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.74 10.23 -32.51 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.92 9.71 -36.39 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.74 9.45 -33.03 1 7 1 96 439.513 6

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