UCSF

ZINC60210661

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 33 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) 4.41 11.16 -16.23 0 7 0 91 467.543 7
Mid Mid (pH 6-8) 4.59 10.42 -19.52 0 7 0 91 467.543 7
Mid Mid (pH 6-8) 5.00 10.51 -58.2 0 7 -1 97 466.535 7
Mid Mid (pH 6-8) 4.57 9.7 -12.29 0 7 0 91 467.543 7

Activity (Go SEA)

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