UCSF

ZINC06314620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 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) 2.44 4.24 -11.89 1 4 0 59 341.23 4
Lo Low (pH 4.5-6) 2.44 4.52 -39.34 2 4 1 60 342.238 4

Activity (Go SEA)

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