UCSF

ZINC04878723

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 28 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) 3.96 11.35 -13.69 2 7 0 85 374.448 3
Lo Low (pH 4.5-6) 4.14 11.61 -32.42 3 7 1 90 375.456 3

Activity (Go SEA)

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