UCSF

ZINC16737096

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 2.24 8.16 -57.46 0 10 -1 134 455.443 10
Mid Mid (pH 6-8) 2.68 7.09 -33.79 1 10 0 131 456.451 9
Mid Mid (pH 6-8) 1.66 8.06 -29.38 0 10 0 128 456.451 10

Activity (Go SEA)

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