UCSF

ZINC05846090

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 19 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) 2.78 5.58 -7.9 2 4 0 58 323.607 4
Hi High (pH 8-9.5) 2.97 4.25 -44.48 1 4 -1 65 322.599 4

Activity (Go SEA)

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