UCSF

ZINC04781693

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 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) 3.91 8.19 -11.73 1 4 0 55 319.408 6
Lo Low (pH 4.5-6) 3.91 8.46 -46.73 2 4 1 56 320.416 6

Activity (Go SEA)

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