UCSF

ZINC29565366

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 28 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) 3.74 6.44 -26.41 4 8 0 112 383.452 9
Lo Low (pH 4.5-6) 3.74 6.88 -48.72 5 8 1 113 384.46 9

Activity (Go SEA)

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