UCSF

ZINC25450626

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 2.44 8.39 -20.87 2 9 0 111 493.589 8
Lo Low (pH 4.5-6) 2.44 8.82 -46.81 3 9 1 112 494.597 8

Activity (Go SEA)

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