UCSF

ZINC03932875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 25 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) 1.94 2.06 -13.95 0 6 0 76 346.427 9
Lo Low (pH 4.5-6) 1.94 2.17 -42.77 1 6 1 77 347.435 9

Activity (Go SEA)

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