UCSF

ZINC40054908

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 38 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) 3.81 7.46 -66.61 2 8 -1 119 516.57 11
Lo Low (pH 4.5-6) 3.81 6.69 -22.15 3 8 0 117 517.578 11

Activity (Go SEA)

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