UCSF

ZINC04097057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 18 No

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Annotations

Vendors

    None

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) -4.46 -7.9 -143.16 5 10 -2 191 288.145 8
Mid Mid (pH 6-8) -4.46 -9.06 -52.71 6 10 -1 188 289.153 8

Activity (Go SEA)

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