UCSF

ZINC13127520

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 3.44 9.82 -12.29 3 5 0 69 376.283 2
Lo Low (pH 4.5-6) 3.45 10.33 -33.64 4 5 1 70 377.291 2

Activity (Go SEA)

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