UCSF

ZINC22357313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 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) 5.47 10.32 -16.48 1 4 0 51 380.513 5
Lo Low (pH 4.5-6) 5.47 11.23 -28.24 2 4 1 52 381.521 5

Activity (Go SEA)

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