UCSF

ZINC24986830

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) 2.49 9.64 -41.64 4 7 1 91 470.663 9
Hi High (pH 8-9.5) 2.49 9.19 -13.99 3 7 0 90 469.655 9
Hi High (pH 8-9.5) 2.49 9.21 -14.54 3 7 0 90 469.655 9
Mid Mid (pH 6-8) 2.49 10.37 -53.53 4 7 1 95 470.663 9

Activity (Go SEA)

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