UCSF

ZINC50064754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 19 No

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Annotations

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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) 1.76 5.42 -31.78 2 6 1 76 284.361 5
Mid Mid (pH 6-8) 1.01 5.34 -37.22 1 6 0 79 283.353 6
Mid Mid (pH 6-8) 1.20 4.36 -20.75 1 6 0 72 283.353 6

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

No pre-computed analogs available. Try a structural similarity search.