UCSF

ZINC33685626

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 11 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) -2.65 -7.52 -56.1 6 5 1 105 164.181 5
Mid Mid (pH 6-8) -2.27 -7.05 -20.7 6 5 0 111 163.173 4

Activity (Go SEA)

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