UCSF

ZINC39847769

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

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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) 4.43 11.9 -56.3 0 6 -1 83 483.931 6
Lo Low (pH 4.5-6) 4.43 11.15 -13.86 1 6 0 80 484.939 6

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