UCSF

ZINC34675945

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 4.60 12.89 -17.44 1 5 0 62 469.972 8
Lo Low (pH 4.5-6) 4.60 13.36 -49.47 2 5 1 64 470.98 8

Activity (Go SEA)

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