UCSF

ZINC04826781

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 28 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) 1.51 3.93 -17.61 3 10 0 149 385.311 5
Mid Mid (pH 6-8) 1.97 1.91 -44.19 2 10 -1 152 384.303 5
Mid Mid (pH 6-8) 1.97 2.17 -37.37 2 10 -1 152 384.303 5

Activity (Go SEA)

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