UCSF

ZINC05765086

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 17 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) 1.71 4.39 -11.71 1 5 0 77 234.207 2
Hi High (pH 8-9.5) 1.71 5.4 -47.23 0 5 -1 80 233.199 2

Activity (Go SEA)

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