UCSF

ZINC06555766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 25 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) 3.80 8.44 -8.88 2 5 0 74 353.447 5
Hi High (pH 8-9.5) 3.80 9.21 -47.9 1 5 -1 77 352.439 5
Mid Mid (pH 6-8) 3.07 9 -17.91 2 5 0 71 353.447 6

Activity (Go SEA)

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