UCSF

ZINC03049865

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2005 26 No

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Annotations

None

Vendors

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) 2.96 11.42 -104.8 3 5 2 43 394.972 9
Hi High (pH 8-9.5) 2.96 8.51 -9.73 1 5 0 41 392.956 9

Activity (Go SEA)

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