UCSF

ZINC31934962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 4.59 7.64 -9.53 1 2 0 44 290.149 2
Hi High (pH 8-9.5) 4.59 8.43 -42.39 0 2 -1 47 289.141 2

Activity (Go SEA)

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