UCSF

ZINC01828990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 30 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) 2.48 6.77 -49.43 0 8 -1 95 427.458 6
Lo Low (pH 4.5-6) 2.03 7.85 -15.38 1 8 0 92 428.466 6

Activity (Go SEA)

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