UCSF

ZINC25147934

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 35 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) 4.14 13.82 -24.78 0 7 0 68 474.605 6
Lo Low (pH 4.5-6) 4.14 14.23 -42.54 1 7 1 69 475.613 6

Activity (Go SEA)

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