UCSF

ZINC00468136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 4.03 7.83 -14.57 2 4 0 58 316.788 5
Lo Low (pH 4.5-6) 4.28 4.82 -26.94 3 4 1 67 317.796 5

Activity (Go SEA)

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