UCSF

ZINC43209333

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 31 No

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Annotations

Vendors

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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) -0.15 8.67 -83.06 5 7 1 122 426.468 7
Mid Mid (pH 6-8) -0.15 7.75 -71.03 4 7 0 117 425.46 7

Activity (Go SEA)

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