UCSF

ZINC20219393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 38 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) 5.71 13.7 -74.22 1 7 0 87 518.654 11
Lo Low (pH 4.5-6) 5.71 12.88 -45.45 2 7 1 84 519.662 11

Activity (Go SEA)

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