UCSF

ZINC04304979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 29 Yes

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) 4.65 10.77 -18.43 0 5 0 55 403.507 5
Lo Low (pH 4.5-6) 4.65 11.05 -53.63 1 5 1 57 404.515 5

Activity (Go SEA)

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