UCSF

ZINC02210261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 35 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) 5.49 13.32 -52.93 0 6 -1 80 468.577 6
Lo Low (pH 4.5-6) 5.03 15.09 -11.24 1 6 0 77 469.585 6

Activity (Go SEA)

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