UCSF

ZINC14228785

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 29 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) 0.73 5.76 -24.97 2 10 0 140 420.447 8
Hi High (pH 8-9.5) 0.73 4.85 -49.49 1 10 -1 142 419.439 8

Activity (Go SEA)

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