UCSF

ZINC40175253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

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Annotations

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) 3.87 13.36 -42.35 1 5 1 47 394.47 6
Mid Mid (pH 6-8) 3.87 11.13 -7.28 0 5 0 46 393.462 6
Mid Mid (pH 6-8) 3.87 11.55 -28.89 1 5 1 47 394.47 6
Mid Mid (pH 6-8) 3.87 13.78 -83.93 2 5 2 48 395.478 6

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