UCSF

ZINC38440354

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 22 No

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Annotations

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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) 1.62 2.42 -12.5 1 6 0 76 305.33 6
Lo Low (pH 4.5-6) 1.62 5.03 -45.55 2 6 1 80 306.338 6

Activity (Go SEA)

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