UCSF

ZINC05812906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 24 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) 5.29 10.15 -39.46 0 3 -1 44 378.304 4
Lo Low (pH 4.5-6) 5.29 10.68 -13.79 1 3 0 41 379.312 4

Activity (Go SEA)

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