UCSF

ZINC04865243

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 28 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) 2.91 8.64 -49.64 0 5 -1 70 386.374 7
Mid Mid (pH 6-8) 3.36 0.33 -26.43 1 5 0 66 387.382 6
Mid Mid (pH 6-8) 2.33 0.62 -16.16 0 5 0 63 387.382 7

Activity (Go SEA)

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