UCSF

ZINC35565168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) -0.81 5 -71.32 5 10 0 165 457.483 3
Hi High (pH 8-9.5) -0.81 2.87 -116.23 4 10 0 164 456.475 3
Hi High (pH 8-9.5) -0.81 3.86 -74.48 3 10 0 167 455.467 3
Hi High (pH 8-9.5) -0.81 6 -87.98 4 10 0 168 456.475 3
Lo Low (pH 4.5-6) -0.81 2.32 -44.53 6 10 0 163 458.491 3

Activity (Go SEA)

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