UCSF

ZINC33747639

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 No

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Annotations

Vendors

    None

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) -1.97 11.63 -85.24 4 9 2 111 459.554 6
Hi High (pH 8-9.5) -1.97 9.35 -33.04 3 9 1 110 458.546 6
Lo Low (pH 4.5-6) -1.97 12.07 -150.76 5 9 3 112 460.562 6

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