UCSF

ZINC00661540

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 5.37 -0.6 -13.87 3 5 0 77 443.45 5
Lo Low (pH 4.5-6) 5.37 -0.48 -39.68 4 5 1 78 444.458 5

Activity (Go SEA)

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