UCSF

ZINC01198517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 28 No

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Annotations

None

Vendors

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) 3.52 4.48 -94.75 0 7 -2 107 419.22 4
Lo Low (pH 4.5-6) 3.06 5.59 -12.33 2 7 0 101 421.236 4
Lo Low (pH 4.5-6) 3.52 3.82 -44.23 1 7 -1 104 420.228 4

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