UCSF

ZINC20899271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 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) 1.59 7.47 -62.15 2 7 -1 107 482.607 6
Hi High (pH 8-9.5) 3.87 8.98 -40.78 3 7 -1 102 482.607 6
Mid Mid (pH 6-8) 3.53 8.99 -19.1 3 7 0 96 483.615 5
Lo Low (pH 4.5-6) 4.50 7.32 -61.01 1 7 -1 106 482.607 6

Activity (Go SEA)

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