UCSF

ZINC27320262

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) 1.67 8.38 -52.46 3 5 1 71 352.849 3
Lo Low (pH 4.5-6) 1.67 8.65 -95.47 4 5 2 72 353.857 3

Activity (Go SEA)

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