UCSF

ZINC34626292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 4.78 8.36 -11.47 1 5 0 73 340.375 8
Hi High (pH 8-9.5) 4.78 9.12 -50.53 0 5 -1 76 339.367 8

Activity (Go SEA)

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