UCSF

ZINC05201254

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 21 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) 5.04 9.04 -7.86 1 3 0 45 294.379 2
Ref Reference (pH 7) 5.04 8.62 -7.74 1 3 0 45 294.379 2
Ref Reference (pH 7) 4.55 8.52 -42.05 0 3 -1 44 293.371 3

Activity (Go SEA)

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