UCSF

ZINC15919888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 3.48 6.68 -58.52 1 5 -1 81 405.257 5
Mid Mid (pH 6-8) 3.92 5.69 -26.9 2 5 0 78 406.265 4
Mid Mid (pH 6-8) 2.90 6.73 -17.62 1 5 0 75 406.265 5

Activity (Go SEA)

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