UCSF

ZINC22216194

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 27 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) 4.04 9.56 -41.21 0 5 -1 67 444.33 4
Lo Low (pH 4.5-6) 3.58 10.62 -10.34 1 5 0 64 445.338 4

Activity (Go SEA)

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