UCSF

ZINC34853252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.09 6.6 -12.1 1 4 0 53 352.356 6
Lo Low (pH 4.5-6) 2.09 7.06 -39.57 2 4 1 55 353.364 6

Activity (Go SEA)

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