UCSF

ZINC34575261

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 Yes

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) 3.49 11.08 -17.4 0 5 0 68 319.364 5
Lo Low (pH 4.5-6) 3.49 11.49 -45.56 1 5 1 69 320.372 5

Activity (Go SEA)

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