UCSF

ZINC11566767

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2008 18 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) 1.84 4.18 -9.63 3 4 0 68 259.334 1
Hi High (pH 8-9.5) 1.84 4.24 -37.86 2 4 -1 66 258.326 1
Lo Low (pH 4.5-6) 1.84 4.58 -35.52 4 4 1 69 260.342 1
Lo Low (pH 4.5-6) 1.84 4.58 -35.63 4 4 1 69 260.342 1

Activity (Go SEA)

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