UCSF

ZINC43460990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 4.15 8.15 -11.45 1 3 0 42 322.593 2
Hi High (pH 8-9.5) 4.15 7.73 -40.58 0 3 -1 40 321.585 2
Lo Low (pH 4.5-6) 4.15 8.63 -30.59 2 3 1 43 323.601 2

Activity (Go SEA)

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