UCSF

ZINC43352604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 39 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) 9.17 23.93 -100.94 0 6 -2 102 545.805 26
Lo Low (pH 4.5-6) 9.17 21.96 -50 1 6 -1 99 546.813 26

Activity (Go SEA)

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