UCSF

ZINC20064745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 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) 4.03 11.83 -68.81 1 7 0 83 466.578 11
Hi High (pH 8-9.5) 4.03 9.52 -57.27 0 7 -1 82 465.57 11
Lo Low (pH 4.5-6) 4.03 10.86 -48.66 2 7 1 81 467.586 11

Activity (Go SEA)

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