UCSF

ZINC34603171

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 5.39 8.9 -49.46 4 3 1 65 346.535 10
Hi High (pH 8-9.5) 5.39 8.67 -7.45 3 3 0 63 345.527 10

Activity (Go SEA)

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