UCSF

ZINC20898658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 3.88 12.45 -12.88 1 5 0 75 403.507 8
Lo Low (pH 4.5-6) 3.88 12.89 -42.63 2 5 1 76 404.515 8

Activity (Go SEA)

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