UCSF

ZINC17353526

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 14 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) 1.37 5.16 -29.17 5 4 1 76 189.242 4
Hi High (pH 8-9.5) 1.37 5.17 -11.82 4 4 0 74 188.234 4
Mid Mid (pH 6-8) 1.24 5.09 -8.99 4 4 0 77 188.234 3

Activity (Go SEA)

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