UCSF

ZINC33732143

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) -2.19 9.66 -31.03 2 9 1 97 453.567 7
Mid Mid (pH 6-8) -2.19 11.92 -84.43 3 9 2 98 454.575 7

Activity (Go SEA)

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