UCSF

ZINC44069776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 40 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) 8.52 19.6 -187.85 2 9 -3 162 567.788 29
Lo Low (pH 4.5-6) 8.52 17.63 -112.91 3 9 -2 159 568.796 29

Activity (Go SEA)

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