UCSF

ZINC40137202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 3.39 11.18 -23.72 1 9 0 119 382.767 3
Hi High (pH 8-9.5) 3.46 9.54 -58.06 0 9 -1 125 381.759 3

Activity (Go SEA)

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