UCSF

ZINC15072696

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 26 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) 3.62 13.66 -105.81 2 3 2 22 375.626 6
Lo Low (pH 4.5-6) 3.62 13.95 -193.83 3 3 3 23 376.634 6

Activity (Go SEA)

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