UCSF

ZINC59522137

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 27 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) -1.77 2.95 -84.11 5 10 0 163 386.449 11
Mid Mid (pH 6-8) -1.77 1.74 -57.45 4 10 -1 162 385.441 11

Activity (Go SEA)

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