UCSF

ZINC03950768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 37 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) 1.95 10.46 -22.7 2 15 0 185 547.502 17
Lo Low (pH 4.5-6) 1.95 10.75 -38.72 3 15 1 187 548.51 17
Lo Low (pH 4.5-6) 1.95 6.29 -37.82 3 15 1 187 548.51 17

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