UCSF

ZINC27322372

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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 10.26 -45.09 1 5 1 48 352.849 3
Mid Mid (pH 6-8) 2.09 8.53 -12.84 0 5 0 46 351.841 3
Lo Low (pH 4.5-6) 2.09 11.18 -87.92 2 5 2 49 353.857 3

Activity (Go SEA)

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