UCSF

ZINC43308009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 32 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) -5.34 -10.16 -431.32 6 21 -5 368 575.011 10
Mid Mid (pH 6-8) -5.34 -4.43 -1510.26 1 21 -10 382 569.971 10
Mid Mid (pH 6-8) -5.34 -5.57 -1268.18 2 21 -9 379 570.979 10
Mid Mid (pH 6-8) -5.34 -5.57 -1236.25 2 21 -9 379 570.979 10
Mid Mid (pH 6-8) -5.34 -5.51 -1261.84 2 21 -9 379 570.979 10
Mid Mid (pH 6-8) -5.34 -5.51 -1269.87 2 21 -9 379 570.979 10
Lo Low (pH 4.5-6) -5.34 -9.01 -602.91 5 21 -6 371 574.003 10
Lo Low (pH 4.5-6) -5.34 -9.01 -602.07 5 21 -6 371 574.003 10
Lo Low (pH 4.5-6) -5.34 -8.95 -614.12 5 21 -6 371 574.003 10

Activity (Go SEA)

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