UCSF

ZINC22257303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 31 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) 5.89 10.95 -40.09 0 5 -1 64 477.027 9
Lo Low (pH 4.5-6) 5.43 12.05 -13.8 1 5 0 61 478.035 9

Activity (Go SEA)

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