UCSF

ZINC60210748

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) 4.81 13.57 -14.71 0 6 0 82 483.611 7
Mid Mid (pH 6-8) 4.97 13.45 -13.31 0 6 0 82 483.611 7
Mid Mid (pH 6-8) 5.00 12.14 -11.86 0 6 0 82 483.611 7
Mid Mid (pH 6-8) 5.40 13.01 -54.79 0 6 -1 88 482.603 7

Activity (Go SEA)

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