UCSF

ZINC09010193

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 36 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) 5.64 -0.32 -11.28 1 7 0 94 491.584 9
Mid Mid (pH 6-8) 5.64 -0.67 -15.87 1 7 0 94 491.584 9
Mid Mid (pH 6-8) 5.82 -1.59 -13.38 1 7 0 94 491.584 9

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