UCSF

ZINC39917168

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 23 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) 3.48 9.02 -39.35 1 4 1 26 315.485 5
Mid Mid (pH 6-8) 3.48 9.81 -81.21 2 4 2 27 316.493 5
Mid Mid (pH 6-8) 3.48 8.89 -35.02 1 4 1 26 315.485 5
Mid Mid (pH 6-8) 3.48 6.65 -7.83 0 4 0 24 314.477 5

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