UCSF

ZINC07422845

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 20 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) 3.39 5.82 -52.61 0 5 -1 74 293.368 5
Lo Low (pH 4.5-6) 3.39 5.83 -12.75 1 5 0 72 294.376 5

Activity (Go SEA)

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