UCSF

ZINC02821021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 22 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) 5.63 4.84 -11.25 3 5 0 82 492.949 3
Mid Mid (pH 6-8) 5.63 6.67 -21.09 3 5 0 86 492.949 3
Mid Mid (pH 6-8) 5.63 7.67 -52.89 2 5 -1 89 491.941 3

Activity (Go SEA)

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