UCSF

ZINC71288975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 19 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) 3.44 8.36 -39.65 2 3 1 29 265.421 10
Lo Low (pH 4.5-6) 3.44 8.79 -92.21 3 3 0 30 266.429 10

Activity (Go SEA)

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