UCSF

ZINC26955544

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 33 No

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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) -0.23 3.24 -54.44 6 10 0 169 457.483 3
Hi High (pH 8-9.5) -0.23 2.12 -132.38 4 10 -2 170 455.467 3
Mid Mid (pH 6-8) -0.81 2.63 -121.56 4 10 -1 168 456.475 3
Mid Mid (pH 6-8) -0.81 2.53 -127.7 4 10 -1 168 456.475 3
Mid Mid (pH 6-8) -0.23 4.25 -121.97 5 10 -1 171 456.475 3
Mid Mid (pH 6-8) -0.96 0.96 -18.74 6 10 0 165 457.483 2
Mid Mid (pH 6-8) -0.23 0.92 -52.86 5 10 -1 167 456.475 3
Mid Mid (pH 6-8) -0.96 3.57 -71.29 6 10 0 169 457.483 2
Lo Low (pH 4.5-6) -0.96 2.52 -49.76 7 10 1 166 458.491 2

Activity (Go SEA)

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