UCSF

ZINC20899295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 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) 2.64 10.48 -65.86 1 6 -1 87 480.635 7
Hi High (pH 8-9.5) 4.92 11.96 -43.67 2 6 -1 82 480.635 7
Mid Mid (pH 6-8) 4.57 12 -17.49 2 6 0 76 481.643 6
Lo Low (pH 4.5-6) 5.55 10.33 -65.54 0 6 -1 86 480.635 7

Activity (Go SEA)

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