UCSF

ZINC05855627

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 17 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) 2.78 7.44 -50.92 1 4 -1 69 242.339 11
Lo Low (pH 4.5-6) 2.78 5.46 -12.69 2 4 0 66 243.347 11

Activity (Go SEA)

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