UCSF

ZINC40162856

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 18 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) 1.03 5.69 -48.21 0 5 -1 70 248.258 3
Lo Low (pH 4.5-6) 1.03 3.74 -13.99 1 5 0 67 249.266 3

Activity (Go SEA)

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