UCSF

ZINC19878122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 0.48 6.47 -45.78 1 6 -1 99 260.225 4
Mid Mid (pH 6-8) 1.00 3.95 -112.26 0 6 -2 106 259.217 4
Mid Mid (pH 6-8) 1.00 4.82 -106 0 6 -2 106 259.217 4

Activity (Go SEA)

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