UCSF

ZINC22228563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 25 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) 4.72 9.96 -40.83 0 4 -1 58 455.14 2
Lo Low (pH 4.5-6) 4.26 11.03 -11.61 1 4 0 55 456.148 2

Activity (Go SEA)

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