UCSF

ZINC05420368

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 13 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) 2.65 -0.28 -41.59 2 1 1 16 196.339 5
Hi High (pH 8-9.5) 2.65 -1.24 -53.84 2 1 0 16 195.331 5

Activity (Go SEA)

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