UCSF

ZINC18182014

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 27 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) 2.73 8.89 -12.76 0 5 0 44 387.842 3
Ref Reference (pH 7) 2.73 9.16 -11.02 0 5 0 44 387.842 3
Mid Mid (pH 6-8) 2.73 11.33 -48.1 1 5 1 45 388.85 3

Activity (Go SEA)

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