UCSF

ZINC05861265

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 4.49 8.57 -13.15 2 4 0 54 329.469 5
Lo Low (pH 4.5-6) 4.49 8.89 -36.08 3 4 1 55 330.477 5

Activity (Go SEA)

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