UCSF

ZINC38139776

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 28 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) 3.09 8.01 -42.8 1 6 -1 104 389.468 4
Lo Low (pH 4.5-6) 3.09 6.89 -9.16 2 6 0 101 390.476 4
Lo Low (pH 4.5-6) 3.09 7.32 -11.55 2 6 0 101 390.476 4

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