UCSF

ZINC05729794

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 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) 2.36 4.53 -15.93 2 7 0 93 325.324 5
Ref Reference (pH 7) 2.36 4.39 -23.08 2 7 0 93 325.324 5
Hi High (pH 8-9.5) 2.82 2.51 -61.48 1 7 -1 96 324.316 5
Hi High (pH 8-9.5) 2.82 2.78 -46.74 1 7 -1 96 324.316 5

Activity (Go SEA)

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