UCSF

ZINC39500152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 33 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) 2.48 10.13 -40.31 1 8 -1 79 446.51 5
Mid Mid (pH 6-8) 2.48 12.83 -53.58 3 8 1 82 448.526 5
Mid Mid (pH 6-8) 2.48 10.64 -8.84 2 8 0 80 447.518 5
Mid Mid (pH 6-8) 2.48 12.34 -58.27 2 8 0 80 447.518 5

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

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