UCSF

ZINC40125141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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 6.45 -52.21 1 5 -1 78 413.247 6
Lo Low (pH 4.5-6) 3.62 5.69 -11.75 2 5 0 76 414.255 6

Activity (Go SEA)

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