UCSF

ZINC40113766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 32 No

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Annotations

Vendors

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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) 4.36 9.37 -13.71 3 6 0 99 448.592 6
Hi High (pH 8-9.5) 4.55 7.83 -49.28 2 6 -1 106 447.584 6

Activity (Go SEA)

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