UCSF

ZINC33997910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 25 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) 5.59 13.82 -51.5 0 4 -1 66 347.475 11
Lo Low (pH 4.5-6) 5.59 12.07 -6.05 1 4 0 64 348.483 11

Activity (Go SEA)

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