UCSF

ZINC20191793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 2.26 10.12 -74.6 1 10 0 129 469.494 10
Lo Low (pH 4.5-6) 2.26 9.3 -58.33 2 10 1 126 470.502 10

Activity (Go SEA)

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