UCSF

ZINC39297356

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 0.42 10.88 -60.72 0 5 -1 71 344.293 4
Lo Low (pH 4.5-6) 0.42 9.99 -24.69 1 5 0 75 345.301 4

Activity (Go SEA)

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