UCSF

ZINC39914818

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 34 No

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Annotations

None

Vendors

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) 6.62 11.08 -10.78 2 5 0 69 516.787 4
Mid Mid (pH 6-8) 6.62 11.85 -45.18 1 5 -1 72 515.779 4

Activity (Go SEA)

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