UCSF

ZINC09280219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 3.58 7.93 -57.14 0 7 -1 82 481.544 10
Mid Mid (pH 6-8) 4.02 10.7 -51.73 2 7 1 81 483.56 9
Mid Mid (pH 6-8) 3.58 10.26 -72.07 1 7 0 83 482.552 10

Activity (Go SEA)

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