UCSF

ZINC01108462

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 23 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) 3.24 -4.89 -7.37 4 6 0 107 375.226 3
Lo Low (pH 4.5-6) 3.24 1.64 -54.26 5 6 1 110 376.234 3

Activity (Go SEA)

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