UCSF

ZINC13477817

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 24 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) 3.52 9.63 -11.07 1 6 0 87 341.392 4
Ref Reference (pH 7) 3.52 9.93 -11.41 1 6 0 87 341.392 4
Mid Mid (pH 6-8) 3.52 9.34 -45.94 0 6 -1 89 340.384 5

Activity (Go SEA)

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