UCSF

ZINC18277046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 17 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) 0.47 0.16 -16.63 2 6 0 93 253.283 2
Ref Reference (pH 7) 0.02 -0.08 -20.25 3 6 0 98 253.283 2
Mid Mid (pH 6-8) 0.48 -2 -13.7 3 6 0 98 253.283 2

Activity (Go SEA)

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