UCSF

ZINC04125416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 24 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) 5.02 1.93 -7.77 0 3 0 45 334.444 5
Lo Low (pH 4.5-6) 5.02 2.06 -35.72 1 3 1 47 335.452 5

Activity (Go SEA)

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